Basic information
- CAS
45882-18-6- Standard SMILES
N[n+]1ccc2ccccc2c1- InChIKey
VHCCINKZRHFLEQ-UHFFFAOYSA-N- Molecular formula
- C9H9N2+
- Average molar mass
- 145.18 g/mol
- Monoisotopic mass
- 145.0765733
Names & identifiers
- Preferred name
- Isoquinolin-2-ium-2-amine
- IUPAC
- isoquinolin-2-ium-2-amine
- English name
- Isoquinolinium, 2-amino- (9CI)
- Molecular formula
- C9H9N2+
- Molecular weight
- 145.18116
Names & synonyms
SCHEMBL11668801Isoquinolinium, 2-amino- (9CI)
Database identifiers
- CAS
45882-18-6- PubChem CID
- 53473
- Nikkaji
- J283.259C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 136
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
1 records
Compound notes
Loading…