N-Methyl-1-naphthylmethylamine Hydrochloride - ≥97% , CAS No.65473-13-4

CAS: 65473-13-4 Cat. No.: M114375 Molecular Weight: 207.7 Beilstein Registry Number: 12(2)740 EC Number: 613-801-0

GRADE & PURITY ≥97%

Synonyms

N-Methyl-1-(1-naphthyl)methanamine Hydrochloride | N-Methyl-1-Naphthalenemethyl amine hydrochloride | AKOS015900390 | N-Methyl-1-naphthalenemethanamine hydrochloride | STR05882 | A835129 | N-METHYL-1-NAPHTHYLMETHYL AMINE HCL | BVJVHPKFDIYQOU-UHFFFAOYSA-N

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N-Methyl-1-(1-naphthyl)methanamine Hydrochloride | N-Methyl-1-Naphthalenemethyl amine hydrochloride | AKOS015900390 | N-Methyl-1-naphthalenemethanamine hydrochloride | STR05882 | A835129 | N-METHYL-1-NAPHTHYLMETHYL AMINE HCL | BVJVHPKFDIYQOU-UHFFFAOYSA-N

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199122
• Canonical Smiles: CNCC1=CC=CC2=CC=CC=C21.Cl
• IUPAC Name: N-methyl-1-naphthalen-1-ylmethanamine;hydrochloride
• InChIKey: BVJVHPKFDIYQOU-UHFFFAOYSA-N
• INCHI: 1S/C12H13N.ClH/c1-13-9-11-7-4-6-10-5-2-3-8-12(10)11;/h2-8,13H,9H2,1H3;1H
• Isomeric SMILES: CNCC1=CC=CC2=CC=CC=C21.Cl
• WGK Germany: 3
• Alternate CAS: 65473-13-4
• Molecular Weight: 207.7
• Beilstein: 12(2)740
• Reaxy-Rn: 3914281
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3914281&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aralkylamines Quaternary ammonium salts Dialkylamines Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aralkylamine - Quaternary ammonium salt - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Organic cation - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Melt Point(°C): 193°C
• Molecular Weight: 207.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 207.081 Da
• Monoisotopic Mass: 207.081 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 155.000
• 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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