ethyl 2-amino-8-bromo-3H-1-benzazepine-4-carboxylate - ≥97% , CAS No.926927-56-2

CAS: 926927-56-2 Cat. No.: E635165 Molecular Weight: 309.16 PubChem CID: 58228535

GRADE & PURITY ≥97%

Synonyms

926927-56-2 | ethyl 2-amino-8-bromo-3H-benzo[b]azepine-4-carboxylate | Ethyl 2-amino-8-bromo-3H-1-benzazepine-4-carboxylate | SCHEMBL3032882 | C91516 | ethyl2-amino-8-bromo-3H-benzo[b]azepine-4-carboxylate | (1E,4E)-ethyl 2-amino-8-bromo-3H-benzo[b]azepin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

926927-56-2 | ethyl 2-amino-8-bromo-3H-benzo[b]azepine-4-carboxylate | Ethyl 2-amino-8-bromo-3H-1-benzazepine-4-carboxylate | SCHEMBL3032882 | C91516 | ethyl2-amino-8-bromo-3H-benzo[b]azepine-4-carboxylate | (1E, 4E)-ethyl 2-amino-8-bromo-3H-benzo[b]azepin

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=CC2=C(C=C(C=C2)Br)N=C(C1)N
• IUPAC Name: ethyl 2-amino-8-bromo-3H-1-benzazepine-4-carboxylate
• InChIKey: GBRSPJSJVMGTLY-UHFFFAOYSA-N
• INCHI: 1S/C13H13BrN2O2/c1-2-18-13(17)9-5-8-3-4-10(14)7-11(8)16-12(15)6-9/h3-5,7H,2,6H2,1H3,(H2,15,16)
• Isomeric SMILES: CCOC(=O)C1=CC2=C(C=C(C=C2)Br)N=C(C1)N
• PubChem CID: 58228535
• 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: Azepines Imidolactams Benzenoids Aryl bromides Enoate esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxamidines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Azepine - Aryl bromide - Aryl halide - Imidolactam - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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