Urea, N-(2-chloroethyl)-N'-(4-methoxycyclohexyl)-N-nitroso-, trans-
Basic information
- CAS
61137-48-2- Standard SMILES
COC1CCC(NC(=O)N(CCCl)N=O)CC1- InChIKey
OFRJHUDMLXBUDY-UHFFFAOYSA-N- Molecular formula
- C10H18ClN3O3
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.1036691
Names & identifiers
- Preferred name
- Urea, N-(2-chloroethyl)-N'-(4-methoxycyclohexyl)-N-nitroso-, trans-
- IUPAC
- 1-(2-chloroethyl)-3-(4-methoxycyclohexyl)-1-nitrosourea
- English name
- 1-(2-Chloroethyl)-3-(4β-methoxycyclohexan-1α-yl)-1-nitrosourea
- Molecular formula
- C10H18ClN3O3
- Molecular weight
- 263.72
Names & synonyms
NSC 15594961137-48-2Urea, N-(2-chloroethyl)-N'-(4-methoxycyclohexyl)-N-nitroso-, trans-(E)-1-(2-Chloroethyl)-3-(4-methoxycyclohexyl)-1-nitrosoureaDTXSID20210028trans-1-(2-Chloroethyl)-3-(4-methoxycyclohexyl)-1-nitrosoureaUrea, 1-(2-chloroethyl)-3-(4-methoxycyclohexyl)-1-nitroso-, (E)-RefChem:387978DTXCID20132519Urea, N-(2-chloroethyl)-N'-(4-methoxycyclohexyl)-N-nitroso-, trans-(9CI)61367-30-4NSC-155949
Show more names
Urea, N-(2-chloroethyl)-N'-(trans-4-methoxycyclohexyl)-N-nitroso-
Urea, 1-(2-chloroethyl)-3-(4-methoxycyclohexyl)-1-nitroso-, (Z)-NSC 178028HTQ8X9HWC3CHEMBL2051747CHEMBL2051938cis-1-(2-Chloroethyl)-3-(4-methoxycyclohexyl)-1-nitrosoureaNSC155949NSC178028
Database identifiers
- CAS
61137-48-2、61367-30-4- PubChem CID
- 98637
- DTXSID
DTXSID20210028- ChEMBL
CHEMBL2051747、CHEMBL2051938- UNII
- HTQ8X9HWC3
- Nikkaji
- J83.884E、J83.885C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Density
- 1.353 · 1.353±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.559 · 10.559±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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