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Substance Name: N-Methyldiethanolamine
RN: 105-59-9
UNII: 3IG3K131QJ
InChIKey: CRVGTESFCCXCTH-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H13-N-O2

Molecular Weight

  • 119.163
 
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Names and Synonyms

Name of Substance

  • N-Methyldiethanolamine

Synonyms

  • 2,2'-(Methylimino)diethanol
  • 2-(N-2-Hydroxyethyl-N-methylamino)ethanol
  • 4-04-00-01517 (Beilstein Handbook Reference)
  • Bis(2-hydroxyethyl) methyl amine
  • Bis(2-hydroxyethyl)methylamine
  • BRN 1734441
  • CCRIS 4843
  • EC 203-312-7
  • EINECS 203-312-7
  • Ethanol, 2,2'-(methylimino)bis-
  • HSDB 6804
  • MDEA
  • Methylbis(2-hydroxyethyl)amine
  • N,N-Bis(2-hydroxyethyl)methylamine
  • N,N-Di(2-hydroxyethyl)-N-methylamine
  • N-Methyl-2,2'-iminodiethanol
  • N-Methylaminodiglycol
  • N-Methyldiethanolamine
  • N-Methyldiethanolimine
  • N-Methyliminodiethanol
  • NSC 11690
  • UNII-3IG3K131QJ
  • USAF DO-52

Systematic Names

  • 2,2'-Methyliminodiethanol
  • Ethanol, 2,2'-(methylimino)bis-
  • Ethanol, 2,2'-(methylimino)di-
  • N-Methyldiethanolamine

Superlist Names

  • Ethanol, 2,2'-(methylimino)di-
  • Methyl diethanolamine

Registry Numbers

CAS Registry Number

  • 105-59-9

FDA UNII

  • 3IG3K131QJ

Other Registry Numbers

  • 511262-76-3
  • 944314-72-1

System Generated Number

  • 0000105599

Structure Descriptors

InChI

1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3

InChIKey

CRVGTESFCCXCTH-UHFFFAOYSA-N

Smiles

N(CCO)(CCO)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,
rabbit LD50 skin 5990uL/kg (5.99mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LC inhalation > 6500ug/m3/6H (6.5mg/m3)   Journal of Toxicology, Cutaneous and Ocular Toxicology. Vol. 17, Pg. 179, 1990.
rat LD50 oral 1945mg/kg (1945mg/kg) BEHAVIORAL: ATAXIA

SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Veterinary and Human Toxicology. Vol. 38, Pg. 422, 1996.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.10E+01 deg C   EXP
Boiling Point 247 deg C   EXP
pKa Dissociation Constant 8.52 (none) 25 EXP
log P (octanol-water) -1.500 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Vapor Pressure 2.00E-04 mm Hg 25 EXP
Henry's Law Constant 3.14E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.70E-11 cm3/molecule-sec 25 EST

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