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Substance Name: Dibutylamine
RN: 111-92-2
UNII: 2194M2LA21
InChIKey: JQVDAXLFBXTEQA-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C8-H19-N

Molecular Weight

  • 129.245
 
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Names and Synonyms

Name of Substance

  • Dibutylamine
  • n-Dibutylamine

Synonyms

  • 1-Butanamine, N-butyl-
  • 4-11-00-00122 (Beilstein Handbook Reference)
  • AI3-15329
  • AI3-52649
  • BRN 0506001
  • Dibutilamina
  • Dibutilamina [Romanian]
  • Dibutylamine
  • EC 203-921-8
  • EINECS 203-921-8
  • HSDB 310
  • N-Butyl-1-butanamine
  • n-Dibutylamine
  • UNII-2194M2LA21

Systematic Names

  • 1-Butanamine, N-butyl-
  • Dibutylamine

Superlist Names

  • 1-Butanamine, N-butyl-
  • Di-(n-butyl)amine
  • Di-n-butylamine
  • Di-n-butylamine [UN2248] [Corrosive]
  • Dibutylamine
  • UN2248

Registry Numbers

CAS Registry Number

  • 111-92-2

FDA UNII

  • 2194M2LA21

Other Registry Number

  • 1357848-56-6

Related Registry Numbers

  • 6287-40-7 (hydrochloride)
  • 71230-78-9 (phosphate[3:1])

System Generated Number

  • 0000111922

Structure Descriptors

InChI

1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3

InChIKey

JQVDAXLFBXTEQA-UHFFFAOYSA-N

Smiles

N(CCCC)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 230mg/kg (230mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(11), Pg. 21, 1975.
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   United States Patent Document. Vol. #3816470,
mouse LD50 oral 290mg/kg (290mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(11), Pg. 21, 1975.
rabbit LD50 skin 770mg/kg (770mg/kg)   National Technical Information Service. Vol. OTS0535430,
rat LCLo inhalation 500ppm/4H (500ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 intraperitoneal 110mg/kg (110mg/kg)   Office of Toxic Substances Report. Vol. OTS0515594,
rat LD50 oral 189mg/kg (189mg/kg)   Revista de Chimie Vol. 36, Pg. 667, 1985.
rat LD50 subcutaneous 494mg/kg (494mg/kg)   Office of Toxic Substances Report. Vol. OTS0515594,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.20E+01 deg C   EXP
Boiling Point 159.6 deg C   EXP
pKa Dissociation Constant 11.39 (none) 21 EXP
log P (octanol-water) 2.83 (none)   EXP
Water Solubility 3500 mg/L 25 EXP
Vapor Pressure 2.59 mm Hg 25 EXP
Henry's Law Constant 8.90E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 8.98E-11 cm3/molecule-sec 25 EST

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