2-Chloro-N-methylbenzylamine - ≥97% , CAS No.94-64-4

CAS: 94-64-4 Cat. No.: C469889 Peso molecular: 155.63 Número EC: 202-350-1

GRADE & PURITY ≥97%

Synonyms

Benzenemethanamine, 2-chloro-N-methyl- | 2-Chlorobenzylmethylamine | SCHEMBL296089 | EINECS 202-350-1 | (2-chlorophenyl)-N-methylmethanamine | DIWGZVQKFSFNLH-UHFFFAOYSA-N | SY023323 | FT-0629116 | 2-Chloro-N-methylbenzylamine | O-CHLORO-N-METHYLBENZYLAMIN

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Description

2-Chloro-N-methylbenzylamine (N-(2-chlorobenzyl)-N-methylamine) may be used in chemical synthesis studies.

Specifications

Sinónimos

Benzenemethanamine, 2-chloro-N-methyl- | 2-Chlorobenzylmethylamine | SCHEMBL296089 | EINECS 202-350-1 | (2-chlorophenyl)-N-methylmethanamine | DIWGZVQKFSFNLH-UHFFFAOYSA-N | SY023323 | FT-0629116 | 2-Chloro-N-methylbenzylamine | O-CHLORO-N-METHYLBENZYLAMIN

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

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

• Pubchem Sid: 504754088
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754088
• Sonrisas canónicas: CNCC1=CC=CC=C1Cl
• IUPAC Name: 1-(2-chlorophenyl)-N-methylmethanamine
• InChIKey: DIWGZVQKFSFNLH-UHFFFAOYSA-N
• INCHI: 1S/C8H10ClN/c1-10-6-7-4-2-3-5-8(7)9/h2-5,10H,6H2,1H3
• Isómeros SMILES: CNCC1=CC=CC=C1Cl
• Peso molecular: 155.63
• Reaxy-Rn: 2690193
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2690193&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Chlorobenzenes Aralkylamines Aryl chlorides Dialkylamines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Secondary amine - Secondary aliphatic amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

• Sensibilidad: air and light sensitive
• Punto de fusión (°C): 225°C-226°C
• Peso molecular: 155.620 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 155.05 Da
• Monoisotopic Mass: 155.05 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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