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Substance Name: 3-Tolylcarbamide
RN: 63-99-0
UNII: UV03U47557
InChIKey: UVQVMNIYFXZXCI-UHFFFAOYSA-N

Note

  • Derivative of anticonvulsant phenylcarbamide.

Molecular Formula

  • C8-H10-N2-O

Molecular Weight

  • 150.18
 
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Names and Synonyms

Name of Substance

  • 3-Tolylcarbamide

Synonyms

  • 3-Methylphenylurea
  • 3-Tolylurea
  • 4-12-00-01828 (Beilstein Handbook Reference)
  • AI3-61313
  • BRN 2639488
  • EINECS 200-571-8
  • m-Tolylcarbamide
  • m-Tolylurea
  • Metatolylcarbamide
  • MTC
  • MTK
  • NSC 2177
  • UNII-UV03U47557

Systematic Names

  • (3-Methylphenyl)urea
  • m-Tolylurea
  • Urea, (3-methylphenyl)-
  • Urea, m-tolyl-

Registry Numbers

CAS Registry Number

  • 63-99-0

FDA UNII

  • UV03U47557

System Generated Number

  • 0000063990

Structure Descriptors

InChI

1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)

InChIKey

UVQVMNIYFXZXCI-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C)NC(N)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 538mg/kg (538mg/kg)   Izvestiya na Instituta po Fiziologiya, Bulgarska Akademiya na Naukite. Vol. 12, Pg. 195, 1969.
mouse LD50 oral 665mg/kg (665mg/kg)   Izvestiya na Instituta po Fiziologiya, Bulgarska Akademiya na Naukite. Vol. 12, Pg. 195, 1969.
rat LD50 intraperitoneal 410mg/kg (410mg/kg)   Izvestiya na Instituta po Fiziologiya, Bulgarska Akademiya na Naukite. Vol. 12, Pg. 195, 1969.
rat LD50 oral 1330mg/kg (1330mg/kg)   Izvestiya na Instituta po Fiziologiya, Bulgarska Akademiya na Naukite. Vol. 12, Pg. 195, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.29 (none)   EXP
Water Solubility 5990 mg/L 25 EST
Vapor Pressure 3.19E-04 mm Hg 25 EST
Henry's Law Constant 2.22E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-10 cm3/molecule-sec 25 EST

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