7-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine - ≥97% , CAS No.57756-37-3

CAS: 57756-37-3 Cat. No.: C337582 Peso molecular: 182.65 Número EC: 676-134-4

GRADE & PURITY ≥97%

Synonyms

SY064268 | UZKODBURRKASTJ-UHFFFAOYSA-N | FT-0692942 | Q-102430 | MFCD07369930 | AS-37263 | 7-Chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine | A8222 | SCHEMBL3136478 | 7-Chloro-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine | AKOS006287258 | DTXSID40618820

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SY064268 | UZKODBURRKASTJ-UHFFFAOYSA-N | FT-0692942 | Q-102430 | MFCD07369930 | AS-37263 | 7-Chloro-2, 3, 4, 5-tetrahydro-1H-1, 4-benzodiazepine | A8222 | SCHEMBL3136478 | 7-Chloro-2, 3, 4, 5-tetrahydro-1H-benzo[e][1, 4]diazepine | AKOS006287258 | DTXSID40618820

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504769054
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769054
• Sonrisas canónicas: C1CNC2=C(CN1)C=C(C=C2)Cl
• IUPAC Name: 7-chloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
• InChIKey: UZKODBURRKASTJ-UHFFFAOYSA-N
• INCHI: 1S/C9H11ClN2/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11-12H,3-4,6H2
• Isómeros SMILES: C1CNC2=C(CN1)C=C(C=C2)Cl
• Peso molecular: 182.65
• Reaxy-Rn: 957672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=957672&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-benzodiazepines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids Aryl chlorides Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,4-benzodiazepine - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Aryl halide - Aryl chloride - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
• 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: 182.650 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 182.061 Da
• Monoisotopic Mass: 182.061 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 151.000
• 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