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Substance Name: Isopropyl carbamate
RN: 1746-77-6
UNII: 10VF1I9JWI
InChIKey: OVPLZYJGTGDFNB-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C4-H9-N-O2

Molecular Weight

  • 103.12
 
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Names and Synonyms

Name of Substance

  • Isopropyl carbamate

Synonyms

  • 4-03-00-00053 (Beilstein Handbook Reference)
  • BRN 1743047
  • Carbamic acid, 1-methylethyl ester
  • Carbamic acid, isopropyl ester
  • EINECS 217-127-4
  • HSDB 2596
  • Isopropyl carbamate
  • Isopropyl-N-carbamate
  • Isopropylester kyseliny karbaminove
  • Isopropylester kyseliny karbaminove [Czech]
  • NSC 60539
  • UNII-10VF1I9JWI

Systematic Names

  • Carbamic acid, 1-methylethyl ester
  • Carbamic acid, isopropyl ester
  • Isopropyl carbamate

Registry Numbers

CAS Registry Number

  • 1746-77-6

FDA UNII

  • 10VF1I9JWI

System Generated Number

  • 0001746776

Structure Descriptors

InChI

1S/C4H9NO2/c1-3(2)7-4(5)6/h3H,1-2H3,(H2,5,6)

InChIKey

OVPLZYJGTGDFNB-UHFFFAOYSA-N

Smiles

C(OC(N)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1280mg/kg (1280mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Australian Journal of Experimental Biology and Medical Science. Vol. 45, Pg. 507, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 93 deg C   EXP
Boiling Point 183 deg C   EXP
log P (octanol-water) 0.400 (none)   EST
Water Solubility 2.37E+04 mg/L 25 EST
Vapor Pressure 0.167 mm Hg 25 EST
Henry's Law Constant 6.97E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.23E-11 cm3/molecule-sec 25 EST

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