1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-7-methyl-, hydrochloride

HCID 42683

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Basic information

CAS: 58260-66-5
Standard SMILES: CC1Cc2cc3c(cc2C[NH2+]1)OCO3.[Cl-]
InChIKey: SMMBDRUELNESAR-UHFFFAOYSA-N
Molecular formula: C11H14ClNO2
Average molar mass: 227.69 g/mol
Monoisotopic mass: 227.0713064

Names & identifiers

Preferred name: 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-7-methyl-, hydrochloride
IUPAC: 7-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride

Names & synonyms

5,6,7,8-Tetrahydro-7-methyl-1,3-dioxolo(4,5-g)isoquinoline hydrochloride58260-66-51,3-DIOXOLO(4,5-g)ISOQUINOLINE, 5,6,7,8-TETRAHYDRO-7-METHYL-, HYDROCHLORIDERefChem:219024

Database identifiers

CAS: 58260-66-5
PubChem CID: 42683

Properties

Computed structural properties

Topological polar surface area: 35.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 221

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