(8S)-8-Amino-5,6,7,8-tetrahydro-1-naphthalenecarbonitrile
Basic information
- CAS
1212916-44-3- Standard SMILES
N#Cc1cccc2c1[C@@H](N)CCC2- InChIKey
QBASZPWVSZNRCW-JTQLQIEISA-N- Molecular formula
- C11H12N2
- Average molar mass
- 172.23 g/mol
- Monoisotopic mass
- 172.10004839
Names & identifiers
- Preferred name
- (8S)-8-Amino-5,6,7,8-tetrahydro-1-naphthalenecarbonitrile
- IUPAC
- (8S)-8-amino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
Names & synonyms
DTXSID501198285(8S)-8-Amino-5,6,7,8-tetrahydro-1-naphthalenecarbonitrile(8S)-8-Amino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile1212916-44-3
Database identifiers
- CAS
1212916-44-3- PubChem CID
- 97053176
- DTXSID
DTXSID501198285
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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