Basic information
- CAS
63712-99-2- Standard SMILES
O=NN(Cc1cccnc1)C(=O)NC1CCCCC1- InChIKey
KKLFLNDULJXJNQ-UHFFFAOYSA-N- Molecular formula
- C13H18N4O2
- Average molar mass
- 262.31 g/mol
- Monoisotopic mass
- 262.14297583
Names & identifiers
- Preferred name
- 3-Cyclohexyl-1-nitroso-1-(pyridin-3-ylmethyl)urea
- IUPAC
- 3-cyclohexyl-1-nitroso-1-(pyridin-3-ylmethyl)urea
Names & synonyms
MLS00338946963712-99-23-cyclohexyl-1-nitroso-1-(pyridin-3-ylmethyl)ureaNSC311161CHEMBL2359225DTXSID30317113NSC-311161SMR002049121DS-004792N'-Cyclohexyl-N-nitroso-N-[(pyridin-3-yl)methyl]urea
Database identifiers
- CAS
63712-99-2- PubChem CID
- 329316
- DTXSID
DTXSID30317113- ChEMBL
CHEMBL2359225
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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