Chemical Properties of Cyclohexanecarboxylic acid, 1-[3-(2-chloroethyl)-3-nitrosoureido]-, ethyl ester (CAS 13991-74-7)

Cyclohexanecarboxylic acid, 1-[3-(2-chloroethyl)-3-nitrosoureido]-, ethyl ester

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InChI
InChI=1S/C12H20ClN3O4/c1-2-20-10(17)12(6-4-3-5-7-12)14-11(18)16(15-19)9-8-13/h2-9H2,1H3,(H,14,18)
InChI Key
FPIQZBQZKBKLEI-UHFFFAOYSA-N
Formula
C12H20ClN3O4
SMILES
CCOC(=O)C1(NC(=O)N(CCCl)N=O)CCCCC1
Molecular Weight1
305.76
CAS
13991-74-7
Sources

Physical Properties

Property Value Unit Source
Δfgas -641.76 kJ/mol Joback Calculated Property
Δvap 79.45 kJ/mol Joback Calculated Property
logPoct/wat 2.18 Crippen Calculated Property
Pc 2367.97 kPa Joback Calculated Property
Tboil 787.35 K Joback Calculated Property
Tc 998.44 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 2
-N= 1
>N- 1
-CH2- 3
-Cl 1
>NH 1
>C< (ring) 1
=O 1
-CH3 1
-CH2- (ring) 5

Similar Compounds

Cyclopentanecarboxylic aicd, 1-[3-(2-chloroethyl)-3-nitrosoureido]-, ethyl ester. 1-Aminocyclopentanecarboxylic acid, N-(2,2,2-trichloroethoxycarbonyl)-, propyl ester. 1-Aminocyclopentanecarboxylic acid, N-(2,2,2-trichloroethoxycarbonyl)-, 2,2,2-trichloroethyl ester. Cyclohexanecarboxylic acid, 1-[3-(2-chloroethyl)ureido]-3-methyl-, ethyl ester. 1,3-Di-(1,3-dicarbethoxypropyl) urea. Pseudoecgonine methyl ester. Glutamic acid, n-[(2-chloroethyl)carbamoyl]-, dimethyl ester. Pipecolylpipecolylpipecolic acid, N-ethoxycarbonyl-, ethyl ester. D-.alpha.-Cyclohexylglycine, N-chlorodifluoroacetyl-, ethyl ester. Pipecolylpipecolic acid, N-ethoxycarbonyl-, tridecyl ester. Pipecolylpipecolic acid, N-ethoxycarbonyl-, undecyl ester. Urea, N-(2-chloroethyl)-N'-(2,6-dioxo-3-piperidinyl)-N-nitroso-. Pipecolylpipecolic acid, N-propargyloxycarbonyl-, propargyl ester. Pipecolylpipecolic acid, N-propargyloxycarbonyl-, decyl ester. Pipecolylpipecolic acid, N-propargyloxycarbonyl-, nonyl ester.

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