(3-chloro-4-methoxyphenyl)methanaminehydrochloride - ≥97% , CAS No.41965-95-1

CAS: 41965-95-1 Cat. No.: W133337 Molecular Weight: 208.09 EC Number: 609-972-6 PubChem CID: 2764287

GRADE & PURITY ≥97%

Synonyms

7R-0349 | C8H11Cl2NO | A825703 | (3-chloro-4-methoxyphenyl)methylamine hydrogen chloride | 3-Chloro-4-MehoxyBenzylamine hydrochloride | 3-Chloro-4-methoxybenzylamine HCl | IKWWOZCEHOYKAO-UHFFFAOYSA-N | 3-Chloro-4-methoxybenzylamineHydrochloride | 3-Chloro

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

7R-0349 | C8H11Cl2NO | A825703 | (3-chloro-4-methoxyphenyl)methylamine hydrogen chloride | 3-Chloro-4-MehoxyBenzylamine hydrochloride | 3-Chloro-4-methoxybenzylamine HCl | IKWWOZCEHOYKAO-UHFFFAOYSA-N | 3-Chloro-4-methoxybenzylamineHydrochloride | 3-Chloro

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488193387
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193387
• Canonical Smiles: COC1=C(C=C(C=C1)CN)Cl.Cl
• IUPAC Name: (3-chloro-4-methoxyphenyl)methanamine;hydrochloride
• InChIKey: IKWWOZCEHOYKAO-UHFFFAOYSA-N
• INCHI: 1S/C8H10ClNO.ClH/c1-11-8-3-2-6(5-10)4-7(8)9;/h2-4H,5,10H2,1H3;1H
• Isomeric SMILES: COC1=C(C=C(C=C1)CN)Cl.Cl
• WGK Germany: 3
• PubChem CID: 2764287
• Molecular Weight: 208.09
• Reaxy-Rn: 8081906

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: Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Benzylamine - Phenylmethylamine - Phenol ether - Alkyl aryl ether - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Organic nitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - 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

• Solubility: Soluble in Methanol
• Melt Point(°C): 252 °C
• Molecular Weight: 208.080 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 207.022 Da
• Monoisotopic Mass: 207.022 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 121.000
• 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: 2

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