3-(Naphthalen-2-ylamino)propanenitrile
Basic information
- CAS
38266-46-5- Standard SMILES
N#CCCNc1ccc2ccccc2c1- InChIKey
CPUVSJAQJPRXLH-UHFFFAOYSA-N- Molecular formula
- C13H12N2
- Average molar mass
- 196.25 g/mol
- Monoisotopic mass
- 196.10004839
Names & identifiers
- Preferred name
- 3-(Naphthalen-2-ylamino)propanenitrile
- IUPAC
- 3-(naphthalen-2-ylamino)propanenitrile
Names & synonyms
3-(naphthalen-2-ylamino)propanenitrile38266-46-53-[(Naphthalen-2-yl)amino]propanenitrileNSC36441SCHEMBL6162479DTXSID30959198NSC-36441AKOS009048166
Database identifiers
- CAS
38266-46-5- PubChem CID
- 235264
- DTXSID
DTXSID30959198
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
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Compound notes
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