Basic information
- CAS
36710-68-6- Standard SMILES
N#CCCNc1cccc2ccccc12- InChIKey
DVWXBMMYPRDXQG-UHFFFAOYSA-N- Molecular formula
- C13H12N2
- Average molar mass
- 196.25 g/mol
- Monoisotopic mass
- 196.10004839
Names & identifiers
- Preferred name
- 3-(Naphthalen-1-ylamino)propanenitrile
- IUPAC
- 3-(naphthalen-1-ylamino)propanenitrile
Names & synonyms
3-(naphthalen-1-ylamino)propanenitrile36710-68-6DTXSID20284269RefChem:275749DTXCID902354203-[(naphthalen-1-yl)amino]propanenitrileNSC36440SCHEMBL7250746DVWXBMMYPRDXQG-UHFFFAOYSA-N3-(1-naphthyl-amino)propionitrileNSC-36440AKOS009047880
Database identifiers
- CAS
36710-68-6- PubChem CID
- 235263
- DTXSID
DTXSID20284269- Nikkaji
- J60.020B
Properties
Computed structural properties
- XLogP
- 3.1
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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