Isoquinoline, 1-amino-3-(trifluoromethyl)-, monohydrochloride
Basic information
- CAS
37989-07-4- Standard SMILES
Cl.Nc1nc(C(F)(F)F)cc2ccccc12- InChIKey
WBAZUSCJWSXCHL-UHFFFAOYSA-N- Molecular formula
- C10H8ClF3N2
- Average molar mass
- 248.63 g/mol
- Monoisotopic mass
- 248.0328104
Names & identifiers
- Preferred name
- Isoquinoline, 1-amino-3-(trifluoromethyl)-, monohydrochloride
- IUPAC
- 3-(trifluoromethyl)isoquinolin-1-amine;hydrochloride
- English name
- 1-Amino-3-(trifluoromethyl)isoquinoline monohydrochloride
- Molecular weight
- 0
Names & synonyms
37989-07-4Isoquinoline, 1-amino-3-(trifluoromethyl)-, monohydrochloride1-Amino-3-(trifluoromethyl)isoquinoline monohydrochloride1-Isoquinolinamine, 3-(trifluoromethyl)-, monohydrochlorideDTXSID10191413RefChem:349990DTXCID201139041-amino-3-(trifluoromethyl)isoquinoline hydrochloride3-(Trifluoromethyl)isoquinolin-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
37989-07-4- PubChem CID
- 217003
- DTXSID
DTXSID10191413
Properties
Computed structural properties
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
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Related reactions
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Compound notes
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