1,3-Bis(2-cyanopropan-2-yl)urea
Basic information
- CAS
86199-46-4- Standard SMILES
CC(C)(C#N)NC(=O)NC(C)(C)C#N- InChIKey
FBSBUUWBMOBMSL-UHFFFAOYSA-N- Molecular formula
- C9H14N4O
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.11676108
Names & identifiers
- Preferred name
- 1,3-Bis(2-cyanopropan-2-yl)urea
- IUPAC
- 1,3-bis(2-cyanopropan-2-yl)urea
Names & synonyms
86199-46-41,3-bis(2-cyanopropan-2-yl)ureaNSC231425DTXSID50310727N,N'-Bis(2-cyanopropan-2-yl)ureaNSC-2314251,3-bis(1-cyano-1-methyl-ethyl)-urea
Database identifiers
- CAS
86199-46-4- PubChem CID
- 314178
- DTXSID
DTXSID50310727
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 293
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Compound notes
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