N-(2-Chloroethyl)-N'-(4-(formyloxy)cyclohexyl)-N-nitrosocarbamimidic acid

HCID 3050996

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 67227-29-6
Standard SMILES: O=COC1CCC(NC(=O)N(CCCl)N=O)CC1
InChIKey: VVZZSKSWIWSSRF-UHFFFAOYSA-N
Molecular formula: C10H16ClN3O4
Average molar mass: 277.7 g/mol
Monoisotopic mass: 277.0829337

Names & identifiers

Preferred name: N-(2-Chloroethyl)-N'-(4-(formyloxy)cyclohexyl)-N-nitrosocarbamimidic acid
IUPAC: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] formate

Names & synonyms

DTXSID40986354N-(2-Chloroethyl)-N'-(4-(formyloxy)cyclohexyl)-N-nitrosocarbamimidic acidN-(2-Chloroethyl)-N'-[4-(formyloxy)cyclohexyl]-N-nitrosocarbamimidic acidRefChem:1091009DTXCID30141353867227-29-6trans-1-(2-Chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitrosourea formateUrea, 1-(2-chloroethyl)-3-(4-hydroxycyclohexyl)-1-nitroso-, formate (E)-Formic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)cyclohexyl ester, (E)-

Database identifiers

CAS: 67227-29-6
PubChem CID: 3050996
DTXSID: DTXSID40986354
Nikkaji: J73.786K

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 88.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 295

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…