Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitroso-
RN: 33021-93-1
InChIKey: HNFHQWTYUXBRNW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-Cl-N3-O2

Molecular Weight

  • 283.757
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-(2-Chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitrosourea
  • BRN 2143919
  • NSC 104471

Systematic Names

  • Urea, 1-(2-chloroethyl)-3-(alpha,alpha-dimethylphenethyl)-1-nitroso-
  • Urea, N-(2-chloroethyl)-N'-(1,1-dimethyl-2-phenylethyl)-N-nitroso- (9CI)

Registry Numbers

CAS Registry Number

  • 33021-93-1

System Generated Number

  • 0033021931

Structure Descriptors

InChI

1S/C13H18ClN3O2/c1-13(2,10-11-6-4-3-5-7-11)15-12(18)17(16-19)9-8-14/h3-7H,8-10H2,1-2H3,(H,15,18)

InChIKey

HNFHQWTYUXBRNW-UHFFFAOYSA-N

Smiles

C(N(N=O)CCCl)(NC(Cc1ccccc1)(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 993mg/kg (993mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 600, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.73 (none)   EXP
Water Solubility 9.950 mg/L 25 EST
Vapor Pressure 3.66E-07 mm Hg 25 EST
Henry's Law Constant 1.92E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.14E-12 cm3/molecule-sec 25 EST

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