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Substance Name: Aminomethyl propanediol
RN: 115-69-5
UNII: CZ7BU4QZJZ
InChIKey: UXFQFBNBSPQBJW-UHFFFAOYSA-N

Molecular Formula

  • C4-H11-N-O2

Molecular Weight

  • 105.136
 
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Names and Synonyms

Name of Substance

  • 1,3-Propanediol, 2-amino-2-methyl-
  • 2-Amino-2-methyl-1,3-propandiol
  • 2-Amino-2-methyl-1,3-propanediol
  • Aminomethyl propanediol

Synonyms

  • 1,1-Di(hydroxymethyl)ethylamine
  • 2-Amino-2-methyl-1,3-propanediol
  • 2-Amino-2-methylpropanediol
  • 4-04-00-01881 (Beilstein Handbook Reference)
  • AI3-03949
  • Aminoglycol
  • AMPD
  • BRN 0635708
  • EINECS 204-100-7
  • Gentimon
  • Isobutandiol-2-amine
  • NSC 6364
  • Pentaerythritol dichlorohydrin
  • UNII-CZ7BU4QZJZ

Systematic Names

  • 1,3-Propanediol, 2-amino-2-methyl-
  • 2-Amino-2-methylpropane-1,3-diol

Registry Numbers

CAS Registry Number

  • 115-69-5

FDA UNII

  • CZ7BU4QZJZ

Other Registry Number

  • 17162-11-7

System Generated Number

  • 0000115695

Structure Descriptors

InChI

1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3

InChIKey

UXFQFBNBSPQBJW-UHFFFAOYSA-N

Smiles

C(CO)(CO)(C)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 140mg/kg (140mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
rabbit LDLo oral 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA

BEHAVIORAL: MUSCLE WEAKNESS
Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
rat LD50 oral 17gm/kg (17000mg/kg)   Journal of the American College of Toxicology. Vol. 9(2), Pg. 203, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 110 deg C   EXP
pKa Dissociation Constant 8.801 (none) 25 EXP
log P (octanol-water) -1.100 (none)   EST
Water Solubility 1.00E+06 mg/L 25 EXP
Vapor Pressure 6.54E-03 mm Hg 25 EST
Henry's Law Constant 2.37E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.95E-11 cm3/molecule-sec 25 EST

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