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Substance Name: Urea, 1-(1-adamantyl)-3-(2-chloroethyl)-3-nitroso-
RN: 14039-10-2
InChIKey: OWGOPGLJEHFHQR-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C13-H20-Cl-N3-O2

Molecular Weight

  • 285.773
 
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Names and Synonyms

Synonyms

  • 3-(1-Adamantyl)-1-(2-chloroethyl)-1-nitrosourea
  • BRN 2879543
  • NSC 129968 (VAN)
  • NSC-86056
  • SRI 2587

Systematic Names

  • Urea, 1-(1-adamantyl)-3-(2-chloroethyl)-3-nitroso-
  • Urea, 3-(1-adamantyl)-1-(2-chloroethyl)-1-nitroso- (8CI)
  • Urea, N-(2-chloroethyl)-N-nitroso-N'-tricyclo(3.3.1.1(3,7))dec-1-yl- (9CI)

Registry Numbers

CAS Registry Number

  • 14039-10-2

System Generated Number

  • 0014039102

Structure Descriptors

InChI

1S/C13H20ClN3O2/c14-1-2-17(16-19)12(18)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,15,18)

InChIKey

OWGOPGLJEHFHQR-UHFFFAOYSA-N

Smiles

C1C2CC3CC(NC(N(CCCl)N=O)=O)(C2)CC1C3

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.56 (none)   EXP
Water Solubility 13.5 mg/L 25 EST
Vapor Pressure 4.80E-07 mm Hg 25 EST
Henry's Law Constant 1.12E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.21E-11 cm3/molecule-sec 25 EST

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