8-Amino-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one - ≥97% , CAS No.22246-76-0

CAS: 22246-76-0 Cat. No.: A175780 Peso molecular: 176.22 Número EC: 676-120-8

GRADE & PURITY ≥97%

Synonyms

DS-1557 | 8-amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one | 8-amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one | 8-Amino-1,3,4,5-tetrahydrobenzo[b]azepin-2-one | 8-amino-1,3,4,5-tetrahydrobenzobazepine-2-one | 8-AMINO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

DS-1557 | 8-amino-1, 3, 4, 5-tetrahydro-benzo[b]azepin-2-one | 8-amino-1, 3, 4, 5-tetrahydro-benzo[b]azepin-2-one | 8-Amino-1, 3, 4, 5-tetrahydrobenzo[b]azepin-2-one | 8-amino-1, 3, 4, 5-tetrahydrobenzobazepine-2-one | 8-AMINO-1, 3, 4, 5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CC2=C(C=C(C=C2)N)NC(=O)C1
• IUPAC Name: 8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
• InChIKey: XRJMPABWIZHNQA-UHFFFAOYSA-N
• INCHI: 1S/C10H12N2O/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h4-6H,1-3,11H2,(H,12,13)
• Isómeros SMILES: C1CC2=C(C=C(C=C2)N)NC(=O)C1
• Peso molecular: 176.22
• Reaxy-Rn: 18320328
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18320328&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzazepines
• Alternative Parents: Azepines Benzenoids Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzazepine - Azepine - Benzenoid - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 176.210 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.095 Da
• Monoisotopic Mass: 176.095 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 205.000
• 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