Basic information
- CAS
42398-75-4- Standard SMILES
COc1ccc2ccnc(N)c2c1- InChIKey
DFGBZXMIKBTZGK-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931294
Names & identifiers
- Preferred name
- 1-Isoquinolinamine, 7-methoxy-
- IUPAC
- 7-methoxyisoquinolin-1-amine
- English name
- 7-methoxy-1-Isoquinolinamine
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
42398-75-41-Isoquinolinamine, 7-methoxy-7-METHOXYISOQUINOLIN-1-AMINE7-METHOXY-1-ISOQUINOLINAMINE7-METHOXY-ISOQUINOLIN-1-YLAMINE7-methoxyisoquinolin-1-ylamineSCHEMBL18345647-methoxy-isoquinoline-1ylamine7-methoxy-isoquinoline-1-ylamineDFGBZXMIKBTZGK-UHFFFAOYSA-NDTXSID2013093021-AMINO-7-METHOXYISOQUINOLINE
Show more names
AKOS017517231AB69424DA-35621
Database identifiers
- CAS
42398-75-4- PubChem CID
- 22665644
- DTXSID
DTXSID201309302
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 362.1 · 362.1±27.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 7.65 · 7.65±0.33(Predicted)
Chemistry & industry
Suppliers4 total
上海宏合医药科技有限公司18352536981
常州合晶化工有限公司85528066 13775048983 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
录泰科技（上海）有限公司13761627472 · [email protected]
Related reactions
17 records
Compound notes
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