Basic information
- CAS
33021-94-2- Standard SMILES
O=NN(CCCl)C(=O)NC1C=CCCC1- InChIKey
QRKPIRZTUBAFCF-UHFFFAOYSA-N- Molecular formula
- C9H14ClN3O2
- Average molar mass
- 231.68 g/mol
- Monoisotopic mass
- 231.0774544
Names & identifiers
- Preferred name
- Urea, N-(2-chloroethyl)-N'-2-cyclohexenyl-N-nitroso-
- IUPAC
- 1-(2-chloroethyl)-3-cyclohex-2-en-1-yl-1-nitrosourea
- English name
- N-(2-Chloroethyl)-N'-(2-cyclohexen-1-yl)-N-nitrosourea
- Molecular weight
- 0
Names & synonyms
33021-94-2Urea, N-(2-chloroethyl)-N'-2-cyclohexenyl-N-nitroso-RefChem:1100827Urea, 1-(2-chloroethyl)-3-(2-cyclohexenyl)-1-nitroso-Urea, N-(2-chloroethyl)-N'-2-cyclohexen-1-yl-N-nitroso-N-(2-Chloroethyl)-N'-(2-cyclohexen-1-yl)-N-nitrosoureaBRN 2130188NSC 132,9211-(2-Chloroethyl)-3-(2-cyclohexenyl)-1-nitrosoureaN-(2-Chloroethyl)-N'-2-cyclohexenyl-N-nitrosoureaNSC132921NSC-132921
Show more names
CHEMBL274127DTXSID40875815DB-277151N-(2-Chloroethyl)-N'-(cyclohex-2-en-1-yl)-N-nitrosourea
Database identifiers
- CAS
33021-94-2- PubChem CID
- 97565
- DTXSID
DTXSID40875815- ChEMBL
CHEMBL274127- Nikkaji
- J54.239C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
LogP2.45
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…