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Substance Name: Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-
RN: 52320-87-3
InChIKey: MLZCGCGQWWRMMX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H12-Cl-N3-O4

Molecular Weight

  • 237.6418
 
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Names and Synonyms

Synonyms

  • Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-
  • Alanine, N-((2-chloroethyl)nitrosocarbamoyl)-2-methyl-
  • N-(((2-Chloroethyl)nitrosoamino)carbonyl)-2-methylalanine
  • N-((2-Chloroethyl)nitrosocarbamoyl)-2-methylalanine
  • NSC 171565

Systematic Name

  • Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-2-methyl-

Registry Numbers

CAS Registry Number

  • 52320-87-3

System Generated Number

  • 0052320873

Structure Descriptors

InChI

1S/C7H12ClN3O4/c1-7(2,5(12)13)9-6(14)11(10-15)4-3-8/h3-4H2,1-2H3,(H,9,14)(H,12,13)

InChIKey

MLZCGCGQWWRMMX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 266mg/kg (266mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 1095, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.74 (none)   EXP
Water Solubility 904 mg/L 25 EST
Vapor Pressure 8.19E-07 mm Hg 25 EST
Henry's Law Constant 2.66E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.67E-12 cm3/molecule-sec 25 EST

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