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Substance Name: 2-Aminobutanol
RN: 96-20-8
UNII: N008Q02GPS
InChIKey: JCBPETKZIGVZRE-UHFFFAOYSA-N

Molecular Formula

  • C4-H11-N-O

Molecular Weight

  • 89.1369
 
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Names and Synonyms

Name of Substance

  • 1-Butanol, 2-amino-
  • 2-Amino-1-butanol
  • 2-Aminobutanol

Synonyms

  • 1-(Hydroxymethyl)propylamine
  • 1-Hydroxy-2-butylamine
  • 2-Amino-1-hydroxybutane
  • 2-Amino-n-butyl alcohol
  • 2-Aminobutan-1-ol
  • 2-Aminobutyl alcohol
  • 4-04-00-01705 (Beilstein Handbook Reference)
  • AI3-03357
  • BRN 1098274
  • Butanol-2-amine
  • EC 202-488-2
  • EINECS 202-488-2
  • EINECS 235-940-2
  • NSC 1068
  • UNII-N008Q02GPS

Systematic Names

  • 1-Butanol, 2-amino-
  • 2-Aminobutan-1-ol

Superlist Names

  • 1-Butanol, 2-amino-
  • 2-Amino-1-butanol

Registry Numbers

CAS Registry Number

  • 96-20-8

FDA UNII

  • N008Q02GPS

Other Registry Number

  • 13054-87-0

System Generated Number

  • 0000096208

Structure Descriptors

InChI

1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3

InChIKey

JCBPETKZIGVZRE-UHFFFAOYSA-N

Smiles

C([C@@H](CO)N)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 316mg/kg (316mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00036,
mouse LD50 oral 2300mg/kg (2300mg/kg) BEHAVIORAL: TETANY "Novye Dannye Po Toksikologii Redkikh Metalov Ikh Soedinenii," New Data on the Toxicology of Rare Metals and Their Compounds, Izrael'son, Z.I., ed., Moscow, Izdatel'stvo "Meditsina," 196Vol. -, Pg. -, 1967.
mouse LDLo intraperitoneal 250mg/kg (250mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 338, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.00E+00 deg C   EXP
Boiling Point 178 deg C   EXP
pKa Dissociation Constant 9.52 (none) 20 EXP
log P (octanol-water) -0.700 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Atmospheric OH Rate Constant 5.38E-11 cm3/molecule-sec 25 EST

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