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Substance Name: Benzylamine
RN: 100-46-9
UNII: A1O31ROR09
InChIKey: WGQKYBSKWIADBV-UHFFFAOYSA-N

Note

  • Toluenes in which one hydrogen of the methyl group is substituted by an amino group. Permitted are any substituents on the benzene ring or the amino group.

Molecular Formula

  • C7-H9-N

Molecular Weight

  • 107.155
 
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Names and Synonyms

Name of Substance

  • Benzylamine

Synonyms

  • (Aminomethyl)benzene
  • (Phenylmethyl)amine
  • 4-12-00-02155 (Beilstein Handbook Reference)
  • AI3-15299
  • alpha-Aminotoluene
  • Benzenemethanamine
  • Benzylamine
  • BRN 0741984
  • EC 202-854-1
  • EINECS 202-854-1
  • HSDB 2795
  • Monobenzylamine
  • Moringine
  • NSC 8046
  • Sumine 2005
  • Sumine 2006
  • UNII-A1O31ROR09

Systematic Names

  • Benzenemethanamine
  • Benzylamine

Registry Numbers

CAS Registry Number

  • 100-46-9

FDA UNII

  • A1O31ROR09

Other Registry Numbers

  • 857483-23-9
  • 858831-93-3

Related Registry Number

  • 3287-99-8 (hydrochloride)

System Generated Number

  • 0000100469

Structure Descriptors

InChI

1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2

InChIKey

WGQKYBSKWIADBV-UHFFFAOYSA-N

Smiles

c1(ccccc1)CN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 700mg/kg (700mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   United States Patent Document. Vol. #3816470,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 10 deg C   EXP
Boiling Point 185 deg C   EXP
pKa Dissociation Constant 9.33 (none) 25 EXP
log P (octanol-water) 1.09 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 0.653 mm Hg 25 EXP
Henry's Law Constant 6.12E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.35E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.