Basic information
- CAS
72122-61-3- Standard SMILES
O=NN(CCCl)C(=O)NN1CCCCC1- InChIKey
ZHHHFOKSLGHEHA-UHFFFAOYSA-N- Molecular formula
- C8H15ClN4O2
- Average molar mass
- 234.68 g/mol
- Monoisotopic mass
- 234.0883534
Names & identifiers
- Preferred name
- N-(2-Chloroethyl)-N-nitroso-N'-piperidin-1-ylurea
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-piperidin-1-ylurea
Names & synonyms
72122-61-3DTXSID00320230N-(2-Chloroethyl)-N-nitroso-N'-piperidin-1-ylureaRefChem:360600DTXCID40271353NSC356539SCHEMBL11188098NSC-3565391-(2-chloroethyl)-1-nitroso-3-(1-piperidino)-ureaN-(2-Chloroethyl)-N-nitroso-N'-(piperidin-1-yl)urea
Database identifiers
- CAS
72122-61-3- PubChem CID
- 337679
- DTXSID
DTXSID00320230
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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