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Substance Name: Carbamic acid, dimethyl-, 3-phenylpropyl ester
RN: 91564-01-1
InChIKey: PWDPVPDCURNLMO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N-O2

Molecular Weight

  • 207.271
 
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Names and Synonyms

Synonyms

  • BRN 5534397
  • Dimethylcarbamic acid 3-phenylpropyl ester
  • MH 664

Systematic Name

  • Carbamic acid, dimethyl-, 3-phenylpropyl ester

Registry Numbers

CAS Registry Number

  • 91564-01-1

System Generated Number

  • 0091564011

Structure Descriptors

InChI

1S/C12H17NO2/c1-13(2)12(14)15-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3

InChIKey

PWDPVPDCURNLMO-UHFFFAOYSA-N

Smiles

c1(CCCOC(N(C)C)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 530mg/kg (530mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 238, Pg. 92, 1960.
mouse LD50 oral 1620mg/kg (1620mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 238, Pg. 92, 1960.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.93 (none)   EXP
Water Solubility 126 mg/L 25 EST
Vapor Pressure 2.43E-03 mm Hg 25 EST
Henry's Law Constant 2.71E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.77E-11 cm3/molecule-sec 25 EST

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