N-(2-Chloroethyl)-N'-(4-methylpiperidin-1-yl)-N-nitrosourea
Basic information
- CAS
86234-69-7- Standard SMILES
CC1CCN(NC(=O)N(CCCl)N=O)CC1- InChIKey
VGBUHBDMXPBDBC-UHFFFAOYSA-N- Molecular formula
- C9H17ClN4O2
- Average molar mass
- 248.71 g/mol
- Monoisotopic mass
- 248.1040035
Names & identifiers
- Preferred name
- N-(2-Chloroethyl)-N'-(4-methylpiperidin-1-yl)-N-nitrosourea
- IUPAC
- 1-(2-chloroethyl)-3-(4-methylpiperidin-1-yl)-1-nitrosourea
Names & synonyms
86234-69-7NSC356556SCHEMBL11218535DTXSID00320235N-(2-Chloroethyl)-N'-(4-methylpiperidin-1-yl)-N-nitrosoureaNSC-356556
Database identifiers
- CAS
86234-69-7- PubChem CID
- 337691
- DTXSID
DTXSID00320235
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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