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

CAS: 94-64-4 Cat. No.: C469889 Molecular Weight: 155.63 EC Number: 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

Overview

Description

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

Specifications

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

Specifications & Purity

≥97%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504754088
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754088
• Canonical Smiles: 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
• Isomeric SMILES: CNCC1=CC=CC=C1Cl
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: air and light sensitive
• Melt Point(°C): 225°C-226°C
• Molecular Weight: 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