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Substance Name: Hexylamine
RN: 111-26-2
UNII: CI4E002ZV8
InChIKey: BMVXCPBXGZKUPN-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H15-N

Molecular Weight

  • 101.191
 
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Names and Synonyms

Name of Substance

  • Hexylamine

Synonyms

  • 1-Aminohexane
  • 1-Hexylamine
  • 4-04-00-00709 (Beilstein Handbook Reference)
  • AI3-16554
  • BRN 1731298
  • EC 203-851-8
  • EINECS 203-851-8
  • ENT 16554
  • Hexylamine
  • Mono-n-hexylamine
  • n-Hexylamine
  • NSC 2590
  • UNII-CI4E002ZV8

Systematic Names

  • 1-Hexanamine
  • Hexylamine

Superlist Names

  • 1-Hexanamine
  • Hexylamine
  • n-Hexylamine

Registry Numbers

CAS Registry Number

  • 111-26-2

FDA UNII

  • CI4E002ZV8

Other Registry Number

  • 85404-23-5

Related Registry Number

  • 142-81-4 (hydrochloride)

System Generated Number

  • 0000111262

Structure Descriptors

InChI

1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3

InChIKey

BMVXCPBXGZKUPN-UHFFFAOYSA-N

Smiles

C(CCC)CCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 420uL/kg (0.42mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LCLo inhalation 500ppm/4H (500ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 670mg/kg (670mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.29E+01 deg C   EXP
Boiling Point 132.8 deg C   EXP
pKa Dissociation Constant 10.64 (none) 25 EXP
log P (octanol-water) 2.06 (none)   EXP
Water Solubility 1.20E+04 mg/L 25 EXP
Vapor Pressure 8.99 mm Hg 25 EXP
Henry's Law Constant 2.68E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.72E-11 cm3/molecule-sec 25 EST

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