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Substance Name: 1,3-Dimethylurea
RN: 96-31-1
UNII: WAM6DR9I4X
InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C3-H8-N2-O

Molecular Weight

  • 88.1092
 
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Names and Synonyms

Name of Substance

  • 1,3-Dimethylurea

Synonyms

  • 1,3-Dimethylurea
  • 4-04-00-00207 (Beilstein Handbook Reference)
  • AI3-24386
  • BRN 1740672
  • CCRIS 2509
  • DMU
  • EC 202-498-7
  • EINECS 202-498-7
  • HSDB 3423
  • N,N'-Dimethylharnstoff
  • N,N'-Dimethylharnstoff [German]
  • N,N'-Dimethylurea
  • NSC 14910
  • sym-Dimethylurea
  • Symmetric dimethylurea
  • UNII-WAM6DR9I4X

Systematic Names

  • 1,3-Dimethylurea
  • N,N-Dimethylurea
  • Urea, 1,3-dimethyl-
  • Urea, N,N'-dimethyl-

Superlist Name

  • Urea, 1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 96-31-1

FDA UNII

  • WAM6DR9I4X

Other Registry Number

  • 475470-59-8

System Generated Number

  • 0000096311

Structure Descriptors

InChI

1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

InChIKey

MGJKQDOBUOMPEZ-UHFFFAOYSA-N

Smiles

C(=O)(NC)NC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 4962mg/kg (4962mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Pharmacology and Experimental Therapeutics. Vol. 54, Pg. 188, 1935.
rat LD50 unreported > 2gm/kg (2000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1073, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 108 deg C   EXP
Boiling Point 269 deg C   EXP
log P (octanol-water) -0.49 (none)   EXP
Water Solubility 1.62E+04 mg/L 25 EST
Vapor Pressure 0.547 mm Hg 25 EST
Henry's Law Constant 1.76E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.12E-12 cm3/molecule-sec 25 EST

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