2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile
Basic information
- CAS
144224-94-2- Standard SMILES
CCC(C#N)NCc1ccc(CNC(C#N)CC)cc1- InChIKey
RXHDPCPJBAUHQE-UHFFFAOYSA-N- Molecular formula
- C16H22N4
- Average molar mass
- 270.37 g/mol
- Monoisotopic mass
- 270.18444672
Names & identifiers
- Preferred name
- 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile
- IUPAC
- 2-[[4-[(1-cyanopropylamino)methyl]phenyl]methylamino]butanenitrile
Names & synonyms
NSC681728144224-94-22-[[4-[(1-cyanopropylamino)methyl]phenyl]methylamino]butanenitrileCHEMBL1973268DTXSID80327742NSC-681728NCI60_0292132,2'-[1,4-Phenylenebis(methyleneazanediyl)]dibutanenitrile2-((4-(((1-Cyanopropyl)amino)methyl)benzyl)amino)butanenitrile
Database identifiers
- CAS
144224-94-2- PubChem CID
- 387699
- DTXSID
DTXSID80327742- ChEMBL
CHEMBL1973268
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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