Chemical Properties of Semustine (CAS 13909-09-6)

InChI

InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)

InChI Key

FVLVBPDQNARYJU-UHFFFAOYSA-N

Formula

C10H18ClN3O2

SMILES

CC1CCC(N=C(O)N(CCCl)N=O)CC1

Molecular Weight¹

247.72

CAS

13909-09-6

Other Names

• Urea, N-(2-chloroethyl)-N'-(4-methylcyclohexyl)-N-nitroso-
• Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-
• ICIG 1110
• Me-CCNU
• Methyl-CCNU
• NSC 95441
• 1-(2-Chloroethyl)-3-(4-methyl-cyclohexyl)-1-nitrosourea
• N-(2-Chloroethyl)-N'-(4-methylcyclohexyl)-N-nitrosourea
• Lomustine, methyl-
• NCI-C04955
• 1-(2-Chloroethyl)-1-([(4-methylcyclohexyl)amino]carbonyl)-2-oxohydrazine
• Urea, 3-(beta-chloroethyl)-1-(4-methylcyclohexyl)-3-nitroso-

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Semustine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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