3-tert-butoxycarbonyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylic acid - ≥97% , CAS No.192133-86-1

CAS: 192133-86-1 Cat. No.: T631032 Molecular Weight: 291.34 PubChem CID: 11833178

GRADE & PURITY ≥97%

Synonyms

192133-86-1 | SCHEMBL1791198 | F89734 | EN300-6735001 | 3-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1H-3-benzazepine-2-carboxylic acid | 3-TERT-BUTOXYCARBONYL-1,2,4,5-TETRAHYDRO-3-BENZAZEPINE-4-CARBOXYLIC ACID

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

192133-86-1 | SCHEMBL1791198 | F89734 | EN300-6735001 | 3-[(tert-butoxy)carbonyl]-2, 3, 4, 5-tetrahydro-1H-3-benzazepine-2-carboxylic acid | 3-TERT-BUTOXYCARBONYL-1, 2, 4, 5-TETRAHYDRO-3-BENZAZEPINE-4-CARBOXYLIC ACID

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCC2=CC=CC=C2CC1C(=O)O
• IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylic acid
• InChIKey: AJHZVXMRCAZSGX-UHFFFAOYSA-N
• INCHI: 1S/C16H21NO4/c1-16(2,3)21-15(20)17-9-8-11-6-4-5-7-12(11)10-13(17)14(18)19/h4-7,13H,8-10H2,1-3H3,(H,18,19)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC2=CC=CC=C2CC1C(=O)O
• PubChem CID: 11833178
• Molecular Weight: 291.34

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: Alpha amino acids and derivatives Azepines Benzenoids Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Alpha-amino acid or derivatives - Azepine - Benzenoid - Carbamic acid ester - Carboxylic acid derivative - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen 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