ethyl 2-amino-7-bromo-3H-1-benzazepine-4-carboxylate - ≥97% , CAS No.1384958-64-8

CAS: 1384958-64-8 Cat. No.: E628801 Molecular Weight: 309.16 PubChem CID: 68110000

GRADE & PURITY ≥97%

Synonyms

ethyl 2-amino-7-bromo-3H-1-benzazepine-4-carboxylate | 1384958-64-8 | SCHEMBL10325225 | MFCD19704144 | PB40497 | AS-84639 | P18113 | Ethyl-2-amino-7-bromo-3H-1-benzazepine-4-carboxylate | ethyl2-amino-7-bromo-3H-1-benzazepine-4-carboxylate | Ethyl 2-amino

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

ethyl 2-amino-7-bromo-3H-1-benzazepine-4-carboxylate | 1384958-64-8 | SCHEMBL10325225 | MFCD19704144 | PB40497 | AS-84639 | P18113 | Ethyl-2-amino-7-bromo-3H-1-benzazepine-4-carboxylate | ethyl2-amino-7-bromo-3H-1-benzazepine-4-carboxylate | Ethyl 2-amino

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=CC2=C(C=CC(=C2)Br)N=C(C1)N
• IUPAC Name: ethyl 2-amino-7-bromo-3H-1-benzazepine-4-carboxylate
• InChIKey: IXPNXVXHRMYNLR-UHFFFAOYSA-N
• INCHI: 1S/C13H13BrN2O2/c1-2-18-13(17)9-5-8-6-10(14)3-4-11(8)16-12(15)7-9/h3-6H,2,7H2,1H3,(H2,15,16)
• Isomeric SMILES: CCOC(=O)C1=CC2=C(C=CC(=C2)Br)N=C(C1)N
• PubChem CID: 68110000
• Molecular Weight: 309.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzazepines
• Alternative Parents: Fatty acid esters Azepines Imidolactams Benzenoids Enoate esters Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidamides Bromoalkenes Azacyclic compounds Amidines Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Fatty acid ester - Azepine - Fatty acyl - Imidolactam - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Azacycle - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl bromide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y