≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CN |
|---|---|
| IUPAC Name | [4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone |
| InChIKey | SKCOMCAQFPNEHZ-UHFFFAOYSA-N |
| INCHI | 1S/C19H22N2O/c1-14-12-16(9-10-17(14)13-20)19(22)21-11-5-4-7-15-6-2-3-8-18(15)21/h2-3,6,8-10,12H,4-5,7,11,13,20H2,1H3 |
| Isomeric SMILES | CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CN |
| PubChem CID | 15896086 |
| Molecular Weight | 294.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzazepines |
| Alternative Parents | m-Toluamides Benzamides Phenylmethylamines Benzylamines Benzoyl derivatives Azepines Aralkylamines Tertiary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzazepine - Benzamide - M-toluamide - Toluamide - Benzoic acid or derivatives - Phenylmethylamine - Benzoyl - Benzylamine - Azepine - Aralkylamine - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom). |
| External Descriptors | Not available |
| Molecular Weight | 294.400 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 294.173 Da |
| Monoisotopic Mass | 294.173 Da |
| Topological Polar Surface Area | 46.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![(4-(Aminomethyl)-3-methylphenyl)(2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)methanone - ≥97% , CAS No.736127-06-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)