3-{[4-(Phenylamino)phenyl]amino}propanenitrile
Basic information
- CAS
27325-83-3- Standard SMILES
N#CCCNc1ccc(Nc2ccccc2)cc1- InChIKey
MTVKQSYQAYQKNZ-UHFFFAOYSA-N- Molecular formula
- C15H15N3
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.12659749
Names & identifiers
- Preferred name
- 3-{[4-(Phenylamino)phenyl]amino}propanenitrile
- IUPAC
- 3-(4-anilinoanilino)propanenitrile
Names & synonyms
27325-83-33-(4-anilinoanilino)propanenitrile3-{[4-(phenylamino)phenyl]amino}propanenitrileNSC24028SCHEMBL11650662DTXSID00282066NSC-240283-[(4-anilinophenyl)amino]propanenitrileDS-013999
Database identifiers
- CAS
27325-83-3- PubChem CID
- 229936
- DTXSID
DTXSID00282066
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
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Compound notes
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