Basic information
- CAS
64097-17-2- Standard SMILES
Nc1ccc(C2[NH2+]C(=O)Cc3ccccc32)cc1.[Cl-]- InChIKey
LLTIMRCNHPKMDU-UHFFFAOYSA-N- Molecular formula
- C15H15ClN2O
- Average molar mass
- 274.74 g/mol
- Monoisotopic mass
- 274.0872908
Names & identifiers
- Preferred name
- Isoquinolin-3-one, 1,2,3,4-tetrahydro-1-(p-aminophenyl)-, hydrochloride
- IUPAC
- 1-(4-aminophenyl)-2,4-dihydro-1H-isoquinolin-2-ium-3-one chloride
Names & synonyms
64097-17-2ISOQUINOLIN-3-ONE, 1,2,3,4-TETRAHYDRO-1-(p-AMINOPHENYL)-, HYDROCHLORIDERefChem:10876941-(p-Aminophenyl)-1,2,3,4-tetrahydroisoquinolin-3-one hydrochloride1-(4'-Aminophenyl)-3-oxotetrahydroisoquinoline hydrochloride3(2H)-Isoquinolinone, 1,4-dihydro-1-(p-aminophenyl), monohydrochloride
Database identifiers
- CAS
64097-17-2- PubChem CID
- 47291
Properties
Computed structural properties
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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