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Substance Name: Propanolamine
RN: 156-87-6
UNII: YMA7C44XGY
InChIKey: WUGQZFFCHPXWKQ-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C3-H9-N-O

Molecular Weight

  • 75.1101
 
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Names and Synonyms

Name of Substance

  • 3-Amino-1-propanol
  • Propanolamine

Synonyms

  • 1,3-Propanolamine
  • 1-Amino-3-hydroxypropane
  • 1-Amino-3-propanol
  • 1-Propanol, 3-amino-
  • 3-Amino-1-propanol
  • 3-Aminopropanol
  • 3-Aminopropyl alcohol
  • 3-Hydroxy-1-propylamine
  • 3-Hydroxypropylamine
  • 3-Propanolamine
  • 4-04-00-01623 (Beilstein Handbook Reference)
  • AI3-25439
  • beta-Alaninol
  • BRN 0741855
  • EC 205-864-4
  • EINECS 205-864-4
  • gamma-Aminopropanol
  • gamma-Hydroxy-1-propylamine
  • HSDB 5161
  • NSC 7766
  • Propanolamine
  • UNII-YMA7C44XGY

Systematic Names

  • 1-Propanol, 3-amino-
  • 3-Aminopropan-1-ol

Superlist Names

  • 1-Propanol, 3-amino-
  • 3-Aminopropanol
  • n-Propanolamine
  • Propanolamine

Registry Numbers

CAS Registry Number

  • 156-87-6

FDA UNII

  • YMA7C44XGY

System Generated Number

  • 0000156876

Structure Descriptors

InChI

1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2

InChIKey

WUGQZFFCHPXWKQ-UHFFFAOYSA-N

Smiles

C(CN)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1202mg/kg (1202mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977.
rabbit LD50 skin 1250uL/kg (1.25mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 2830uL/kg (2.83mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 11 deg C   EXP
Boiling Point 187.5 deg C   EXP
pKa Dissociation Constant 9.96 (none) 25 EXP
log P (octanol-water) -1.12E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 0.0771 mm Hg 25 EXP
Henry's Law Constant 4.88E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.73E-11 cm3/molecule-sec 25 EST

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