Isoquinoline-5,6-diamine
Basic information
- CAS
140192-89-8- Standard SMILES
Nc1ccc2cnccc2c1N- InChIKey
IXGBYFWUZTWDPJ-UHFFFAOYSA-N- Molecular formula
- C9H9N3
- Average molar mass
- 159.19 g/mol
- Monoisotopic mass
- 159.0796473
Names & identifiers
- Preferred name
- Isoquinoline-5,6-diamine
- IUPAC
- isoquinoline-5,6-diamine
- English name
- 5,6-Isoquinolinediamine
- Molecular formula
- C9H9N3
- Molecular weight
- 0
Names & synonyms
Isoquinoline-5,6-diamine140192-89-8CHEMBL277535,6-ISOQUINOLINEDIAMINEDTXSID60567381BDBM50126274
Database identifiers
- CAS
140192-89-8- PubChem CID
- 15040652
- DTXSID
DTXSID60567381- ChEMBL
CHEMBL27753- Nikkaji
- J2.020.411G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Chemistry & industry
Applications
UsesIsoquinoline-5,6-diamine is a useful intermediate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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