Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 08:46:27 UTC |
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Update Date | 2021-09-26 23:03:24 UTC |
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HMDB ID | HMDB0251415 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Dinaline |
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Description | Dinaline belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. Based on a literature review a small amount of articles have been published on Dinaline. This compound has been identified in human blood as reported by (PMID: 31557052 ). Dinaline is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Dinaline is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | NC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1N InChI=1S/C13H13N3O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17) |
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Synonyms | Value | Source |
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4-Amino-N-(2'-aminophenyl)benzamide | MeSH | 4-Aminobenzoyl-1,2-phenylenediamine | MeSH |
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Chemical Formula | C13H13N3O |
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Average Molecular Weight | 227.267 |
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Monoisotopic Molecular Weight | 227.105862051 |
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IUPAC Name | 4-amino-N-(2-aminophenyl)benzamide |
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Traditional Name | 4-amino-N-(2-aminophenyl)benzamide |
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CAS Registry Number | Not Available |
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SMILES | NC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1N |
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InChI Identifier | InChI=1S/C13H13N3O/c14-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)15/h1-8H,14-15H2,(H,16,17) |
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InChI Key | QGMGHALXLXKCBD-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Anilides |
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Direct Parent | Benzanilides |
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Alternative Parents | |
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Substituents | - Benzanilide
- Aminobenzoic acid or derivatives
- Benzamide
- Benzoic acid or derivatives
- Benzoyl
- Aniline or substituted anilines
- Amino acid or derivatives
- Secondary carboxylic acid amide
- Carboxamide group
- Carboxylic acid derivative
- Amine
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Dinaline,1TMS,isomer #1 | C[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1 | 2749.1 | Semi standard non polar | 33892256 | Dinaline,1TMS,isomer #1 | C[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1 | 2589.8 | Standard non polar | 33892256 | Dinaline,1TMS,isomer #1 | C[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1 | 3805.4 | Standard polar | 33892256 | Dinaline,1TMS,isomer #2 | C[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1 | 2727.4 | Semi standard non polar | 33892256 | Dinaline,1TMS,isomer #2 | C[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1 | 2551.5 | Standard non polar | 33892256 | Dinaline,1TMS,isomer #2 | C[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1 | 3584.6 | Standard polar | 33892256 | Dinaline,1TMS,isomer #3 | C[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N | 2519.5 | Semi standard non polar | 33892256 | Dinaline,1TMS,isomer #3 | C[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N | 2421.0 | Standard non polar | 33892256 | Dinaline,1TMS,isomer #3 | C[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N | 3711.1 | Standard polar | 33892256 | Dinaline,2TMS,isomer #1 | C[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N[Si](C)(C)C)C=C1 | 2797.5 | Semi standard non polar | 33892256 | Dinaline,2TMS,isomer #1 | C[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N[Si](C)(C)C)C=C1 | 2680.3 | Standard non polar | 33892256 | Dinaline,2TMS,isomer #1 | C[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N[Si](C)(C)C)C=C1 | 3186.7 | Standard polar | 33892256 | Dinaline,2TMS,isomer #2 | C[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)[Si](C)(C)C | 2740.2 | Semi standard non polar | 33892256 | Dinaline,2TMS,isomer #2 | C[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)[Si](C)(C)C | 2580.1 | Standard non polar | 33892256 | Dinaline,2TMS,isomer #2 | C[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)[Si](C)(C)C | 3604.9 | Standard polar | 33892256 | Dinaline,2TMS,isomer #3 | C[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N)[Si](C)(C)C)C=C1 | 2575.5 | Semi standard non polar | 33892256 | Dinaline,2TMS,isomer #3 | C[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N)[Si](C)(C)C)C=C1 | 2566.1 | Standard non polar | 33892256 | Dinaline,2TMS,isomer #3 | C[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N)[Si](C)(C)C)C=C1 | 3156.3 | Standard polar | 33892256 | Dinaline,2TMS,isomer #4 | C[Si](C)(C)N(C1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1)[Si](C)(C)C | 2694.6 | Semi standard non polar | 33892256 | Dinaline,2TMS,isomer #4 | C[Si](C)(C)N(C1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1)[Si](C)(C)C | 2591.2 | Standard non polar | 33892256 | Dinaline,2TMS,isomer #4 | C[Si](C)(C)N(C1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1)[Si](C)(C)C | 3304.6 | Standard polar | 33892256 | Dinaline,2TMS,isomer #5 | C[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C | 2618.2 | Semi standard non polar | 33892256 | Dinaline,2TMS,isomer #5 | C[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C | 2544.0 | Standard non polar | 33892256 | Dinaline,2TMS,isomer #5 | C[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C | 3145.9 | Standard polar | 33892256 | Dinaline,3TMS,isomer #1 | C[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1 | 2771.5 | Semi standard non polar | 33892256 | Dinaline,3TMS,isomer #1 | C[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1 | 2627.5 | Standard non polar | 33892256 | Dinaline,3TMS,isomer #1 | C[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1 | 3046.3 | Standard polar | 33892256 | Dinaline,3TMS,isomer #2 | C[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N[Si](C)(C)C)[Si](C)(C)C)C=C1 | 2709.6 | Semi standard non polar | 33892256 | Dinaline,3TMS,isomer #2 | C[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N[Si](C)(C)C)[Si](C)(C)C)C=C1 | 2588.9 | Standard non polar | 33892256 | Dinaline,3TMS,isomer #2 | C[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N[Si](C)(C)C)[Si](C)(C)C)C=C1 | 2875.0 | Standard polar | 33892256 | Dinaline,3TMS,isomer #3 | C[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1 | 2782.2 | Semi standard non polar | 33892256 | Dinaline,3TMS,isomer #3 | C[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1 | 2670.8 | Standard non polar | 33892256 | Dinaline,3TMS,isomer #3 | C[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1 | 2967.0 | Standard polar | 33892256 | Dinaline,3TMS,isomer #4 | C[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)C1=CC=CC=C1N | 2497.3 | Semi standard non polar | 33892256 | Dinaline,3TMS,isomer #4 | C[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)C1=CC=CC=C1N | 2574.8 | Standard non polar | 33892256 | Dinaline,3TMS,isomer #4 | C[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)C1=CC=CC=C1N | 3029.8 | Standard polar | 33892256 | Dinaline,3TMS,isomer #5 | C[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C | 2460.5 | Semi standard non polar | 33892256 | Dinaline,3TMS,isomer #5 | C[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C | 2553.7 | Standard non polar | 33892256 | Dinaline,3TMS,isomer #5 | C[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C | 2977.8 | Standard polar | 33892256 | Dinaline,4TMS,isomer #1 | C[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C | 2825.9 | Semi standard non polar | 33892256 | Dinaline,4TMS,isomer #1 | C[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C | 2682.6 | Standard non polar | 33892256 | Dinaline,4TMS,isomer #1 | C[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C | 2840.9 | Standard polar | 33892256 | Dinaline,4TMS,isomer #2 | C[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C | 2685.6 | Semi standard non polar | 33892256 | Dinaline,4TMS,isomer #2 | C[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C | 2582.9 | Standard non polar | 33892256 | Dinaline,4TMS,isomer #2 | C[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)[Si](C)(C)C | 2780.3 | Standard polar | 33892256 | Dinaline,4TMS,isomer #3 | C[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1 | 2652.5 | Semi standard non polar | 33892256 | Dinaline,4TMS,isomer #3 | C[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1 | 2597.0 | Standard non polar | 33892256 | Dinaline,4TMS,isomer #3 | C[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1 | 2749.9 | Standard polar | 33892256 | Dinaline,5TMS,isomer #1 | C[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C | 2643.4 | Semi standard non polar | 33892256 | Dinaline,5TMS,isomer #1 | C[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C | 2661.9 | Standard non polar | 33892256 | Dinaline,5TMS,isomer #1 | C[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C)[Si](C)(C)C)C=C1)C1=CC=CC=C1N([Si](C)(C)C)[Si](C)(C)C | 2616.8 | Standard polar | 33892256 | Dinaline,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1 | 3016.0 | Semi standard non polar | 33892256 | Dinaline,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1 | 2755.5 | Standard non polar | 33892256 | Dinaline,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1 | 3816.6 | Standard polar | 33892256 | Dinaline,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1 | 2982.7 | Semi standard non polar | 33892256 | Dinaline,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1 | 2749.2 | Standard non polar | 33892256 | Dinaline,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1 | 3613.8 | Standard polar | 33892256 | Dinaline,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N | 2761.2 | Semi standard non polar | 33892256 | Dinaline,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N | 2630.8 | Standard non polar | 33892256 | Dinaline,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N | 3691.1 | Standard polar | 33892256 | Dinaline,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N[Si](C)(C)C(C)(C)C)C=C1 | 3304.3 | Semi standard non polar | 33892256 | Dinaline,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N[Si](C)(C)C(C)(C)C)C=C1 | 3073.1 | Standard non polar | 33892256 | Dinaline,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N[Si](C)(C)C(C)(C)C)C=C1 | 3323.8 | Standard polar | 33892256 | Dinaline,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)[Si](C)(C)C(C)(C)C | 3266.2 | Semi standard non polar | 33892256 | Dinaline,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)[Si](C)(C)C(C)(C)C | 2958.2 | Standard non polar | 33892256 | Dinaline,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)[Si](C)(C)C(C)(C)C | 3562.3 | Standard polar | 33892256 | Dinaline,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N)[Si](C)(C)C(C)(C)C)C=C1 | 3094.2 | Semi standard non polar | 33892256 | Dinaline,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N)[Si](C)(C)C(C)(C)C)C=C1 | 2958.1 | Standard non polar | 33892256 | Dinaline,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N)[Si](C)(C)C(C)(C)C)C=C1 | 3287.1 | Standard polar | 33892256 | Dinaline,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C | 3189.6 | Semi standard non polar | 33892256 | Dinaline,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C | 2990.0 | Standard non polar | 33892256 | Dinaline,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C1=CC=CC=C1NC(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C | 3342.1 | Standard polar | 33892256 | Dinaline,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C | 3067.5 | Semi standard non polar | 33892256 | Dinaline,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C | 2974.2 | Standard non polar | 33892256 | Dinaline,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N)C=C1)[Si](C)(C)C(C)(C)C | 3280.5 | Standard polar | 33892256 | Dinaline,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3480.0 | Semi standard non polar | 33892256 | Dinaline,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3213.0 | Standard non polar | 33892256 | Dinaline,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1NC(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3275.9 | Standard polar | 33892256 | Dinaline,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3362.3 | Semi standard non polar | 33892256 | Dinaline,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3168.5 | Standard non polar | 33892256 | Dinaline,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3183.3 | Standard polar | 33892256 | Dinaline,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3492.0 | Semi standard non polar | 33892256 | Dinaline,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3228.6 | Standard non polar | 33892256 | Dinaline,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3223.1 | Standard polar | 33892256 | Dinaline,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C1N | 3243.4 | Semi standard non polar | 33892256 | Dinaline,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C1N | 3178.1 | Standard non polar | 33892256 | Dinaline,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C1N | 3252.8 | Standard polar | 33892256 | Dinaline,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3132.6 | Semi standard non polar | 33892256 | Dinaline,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3135.5 | Standard non polar | 33892256 | Dinaline,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N)C=C1)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3218.7 | Standard polar | 33892256 | Dinaline,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C | 3702.2 | Semi standard non polar | 33892256 | Dinaline,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C | 3418.7 | Standard non polar | 33892256 | Dinaline,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C1=CC=C(C(=O)NC2=CC=CC=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C | 3159.8 | Standard polar | 33892256 | Dinaline,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C | 3518.8 | Semi standard non polar | 33892256 | Dinaline,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C | 3341.9 | Standard non polar | 33892256 | Dinaline,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NC1=CC=CC=C1N(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C | 3140.2 | Standard polar | 33892256 | Dinaline,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3511.2 | Semi standard non polar | 33892256 | Dinaline,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3326.8 | Standard non polar | 33892256 | Dinaline,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NC1=CC=C(C(=O)N(C2=CC=CC=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1 | 3120.2 | Standard polar | 33892256 | Dinaline,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3647.3 | Semi standard non polar | 33892256 | Dinaline,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3553.0 | Standard non polar | 33892256 | Dinaline,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(C(=O)C1=CC=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1)C1=CC=CC=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3056.1 | Standard polar | 33892256 |
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