(4S,6S)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate
Basic information
- CAS
82523-08-8- Standard SMILES
O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccccc2)[NH2+]1- InChIKey
KFBHKNNDUHHZKT-QWRGUYRKSA-N- Molecular formula
- C13H13N3O2
- Average molar mass
- 243.26 g/mol
- Monoisotopic mass
- 243.10077667
Names & identifiers
- Preferred name
- (4S,6S)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate
- IUPAC
- (4S,6S)-4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium-6-carboxylate
Database identifiers
- CAS
82523-08-8- PubChem CID
- 6948908
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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