2-(1-Naphthyl)ethylamine hydrochloride - ≥95% , CAS No.942-05-2

CAS: 942-05-2 Cat. No.: N467473 Molecular Weight: 207.7 EC Number: 623-393-6

GRADE & PURITY ≥95%

Synonyms

2-naphthalen-1-ylethanamine;hydrochloride | 2-(naphthalen-1-yl)ethan-1-amine hydrochloride | N-[2-(1-naphthyl)ethyl]amine hydrochloride | IIQLCIPKSPJKEJ-UHFFFAOYSA-N | 2-(Naphthalen-1-yl)ethan-1-amine--hydrogen chloride (1/1) | 2-(Naphthalen-1-yl)ethanami

Storage

Room temperature

Specifications

Synonyms

2-naphthalen-1-ylethanamine;hydrochloride | 2-(naphthalen-1-yl)ethan-1-amine hydrochloride | N-[2-(1-naphthyl)ethyl]amine hydrochloride | IIQLCIPKSPJKEJ-UHFFFAOYSA-N | 2-(Naphthalen-1-yl)ethan-1-amine--hydrogen chloride (1/1) | 2-(Naphthalen-1-yl)ethanami

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C=CC=C2CCN.Cl
• IUPAC Name: 2-naphthalen-1-ylethanamine;hydrochloride
• InChIKey: IIQLCIPKSPJKEJ-UHFFFAOYSA-N
• INCHI: 1S/C12H13N.ClH/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;/h1-7H,8-9,13H2;1H
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC=C2CCN.Cl
• WGK Germany: 3
• Molecular Weight: 207.7
• Reaxy-Rn: 3695093
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3695093&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: Phenethylamines 2-arylethylamines Aralkylamines Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Phenethylamine - 2-arylethylamine - Aralkylamine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - 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

• 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: 26.000 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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