cis-4-Chloro-2-butenylamine hydrochloride - ≥95% , CAS No.7153-66-4

CAS: 7153-66-4 Cat. No.: C467388 Peso molecular: 142.02 Número EC: 626-721-6

GRADE & PURITY ≥95%

Synonyms

cis-4-Chloro-2-butenylamine hydrochloride, 95% | cis-4-Chloro-2-butenylamine hydrochloride | ZGCNYBMDGKVWFH-ODZAUARKSA-N | AS-65267 | (Z)-4-chlorobut-2-en-1-amine;hydrochloride | (2Z)-4-CHLOROBUT-2-EN-1-AMINE HYDROCHLORIDE | (Z)-4-chlorobut-2-en-1-aMine (

Storage

Room temperature

Descripción general

Description

cis-4-Chloro-2-butenylamine hydrochloride is an alkenyl amine derivative. It is an organic building block used in chemical synthesis.

Specifications

Sinónimos

cis-4-Chloro-2-butenylamine hydrochloride, 95% | cis-4-Chloro-2-butenylamine hydrochloride | ZGCNYBMDGKVWFH-ODZAUARKSA-N | AS-65267 | (Z)-4-chlorobut-2-en-1-amine;hydrochloride | (2Z)-4-CHLOROBUT-2-EN-1-AMINE HYDROCHLORIDE | (Z)-4-chlorobut-2-en-1-aMine (

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C(C=CCCl)N.Cl
• IUPAC Name: (Z)-4-chlorobut-2-en-1-amine;hydrochloride
• InChIKey: ZGCNYBMDGKVWFH-ODZAUARKSA-N
• INCHI: 1S/C4H8ClN.ClH/c5-3-1-2-4-6;/h1-2H,3-4,6H2;1H/b2-1-
• Isómeros SMILES: C(/C=C\CCl)N.Cl
• Peso molecular: 142.02
• Reaxy-Rn: 6699919
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6699919&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Organic chloride salts Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl chlorides Organic anions
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Hydrochloride - Primary amine - Organonitrogen compound - Organochloride - Primary aliphatic amine - Amine - Alkyl halide - Alkyl chloride - Organic anion - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine 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

• Punto de fusión (°C): 125-131° C (lit.)
• Peso molecular: 142.020 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 141.011 Da
• Monoisotopic Mass: 141.011 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 42.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3