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Substance Name: Aminoethyl ethanolamine
RN: 111-41-1
UNII: RC78W6NPXT
InChIKey: LHIJANUOQQMGNT-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C4-H12-N2-O

Molecular Weight

  • 104.152
 
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Names and Synonyms

Results Name

  • Aminoethyl ethanolamine

Name of Substance

  • Aminoethyl ethanolamine
  • N-(2-Hydroxyethyl)ethylenediamine

Synonyms

  • (2-Aminoethyl)ethanolamine
  • (2-Hydroxyethyl)ethylenediamine
  • (beta-Hydroxyethyl)ethylenediamine
  • 1-(2-(Hydroxyethyl)amino)-2-aminoethane
  • 2-((2-Aminoethyl)amino)ethanol
  • 4-04-00-01558 (Beilstein Handbook Reference)
  • AI3-15368
  • Aminoethyl ethanolamine
  • beta-Aminoethyl-beta-hydroxyethylamine
  • BRN 0506012
  • CCRIS 4825
  • EC 203-867-5
  • EINECS 203-867-5
  • Ethanolethylene diamine
  • HSDB 2067
  • Hydroxyethyl ethylenediamine
  • Monoethanolethylenediamine
  • N-(2-Aminoethyl)ethanolamine
  • N-(2-Hydroxyethyl)-1,2-ethanediamine
  • N-(2-Hydroxyethyl)ethylenediamine
  • N-(beta-Hydroxyethyl)ethylenediamine
  • N-Aminoethyl ethanolamine
  • N-Aminoethylethanolamine
  • N-Hydroxyethyl-1,2-ethanediamine
  • N-Hydroxyethylethylenediamine
  • NSC 461
  • UNII-RC78W6NPXT

Systematic Names

  • 2-(2-Aminoethylamino)ethanol
  • Ethanol, 2-((2-aminoethyl)amino)-
  • N-(Hydroxyethyl)ethylenediamine

Superlist Names

  • 2-((Aminoethyl)amino)ethanol
  • Aminoethylethanolamine
  • Ethanol, 2-((2-aminoethyl)amino)-
  • N-(Aminoethyl)ethanolamine

Registry Numbers

CAS Registry Number

  • 111-41-1

FDA UNII

  • RC78W6NPXT

Other Registry Number

  • 51251-98-0

System Generated Number

  • 0000111411

Structure Descriptors

InChI

1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2

InChIKey

LHIJANUOQQMGNT-UHFFFAOYSA-N

Smiles

N(CCN)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1500mg/kg (1500mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
guinea pig LD50 skin 1800uL/kg (1.8mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
mouse LD50 oral 3550mg/kg (3550mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
rabbit LD50 oral 2gm/kg (2000mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
rabbit LD50 skin 3560uL/kg (3.56mL/kg)   Union Carbide Data Sheet. Vol. 7/19/1965,
rat LD50 intramuscular 2gm/kg (2000mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
rat LD50 intraperitoneal 120mg/kg (120mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
rat LD50 intravenous 417mg/kg (417mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.
rat LD50 oral 3gm/kg (3000mg/kg)   Union Carbide Data Sheet. Vol. 7/19/1965,
rat LD50 skin 2250mg/kg (2250mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 64, 1982.
rat LD50 subcutaneous 2250mg/kg (2250mg/kg)   Environmental Space Science. English Translation of Kosmicheskaya Biologiya Meditsina. 1967-70.Vol. 2, Pg. 289, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.80E+01 deg C   EXP
Boiling Point 239 deg C   EXP
pKa Dissociation Constant 7.21 (none) 25 EXP
log P (octanol-water) -2.130 (none)   EST
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 0.00819 mm Hg 25 EXP
Henry's Law Constant 1.10E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.16E-10 cm3/molecule-sec 25 EST

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