1-Methyl-3,4-dihydroisoquinoline-6,7-diol--hydrogen chloride (1/1)

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Basic information

CAS: 4722-05-8
Standard SMILES: CC1=[NH+]CCc2cc(O)c(O)cc21.[Cl-]
InChIKey: SKKWMVRWQDNXAW-UHFFFAOYSA-N
Molecular formula: C10H12ClNO2
Average molar mass: 213.66 g/mol
Monoisotopic mass: 213.0556563

Names & identifiers

Preferred name: 1-Methyl-3,4-dihydroisoquinoline-6,7-diol--hydrogen chloride (1/1)
IUPAC: 1-methyl-3,4-dihydroisoquinolin-2-ium-6,7-diol chloride

Names & synonyms

4722-05-8DTXSID109637731-Methyl-3,4-dihydroisoquinoline-6,7-diol--hydrogen chloride (1/1)RefChem:1055769DTXCID8013915053,4-Dihydro-1-methyl-6,7-isoquinolinediol hydrochloride6,7-ISOQUINOLINEDIOL, 3,4-DIHYDRO-1-METHYL-, HYDROCHLORIDE

Database identifiers

CAS: 4722-05-8
PubChem CID: 20843

Properties

Computed structural properties

Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 227

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Compound notes

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