5-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)

HCID 45113

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Basic information

CAS: 63905-71-5
Standard SMILES: CCOc1c(OC)ccc2c1CC[NH2+]C2.[Cl-]
InChIKey: YIXDGTNNJMJRDX-UHFFFAOYSA-N
Molecular formula: C12H18ClNO2
Average molar mass: 243.73 g/mol
Monoisotopic mass: 243.1026065

Names & identifiers

Preferred name: 5-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
IUPAC: 5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Names & synonyms

63905-71-5DTXSID209808905-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)RefChem:1072847DTXCID3014081635-Ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline hydrochlorideISOQUINOLINE, 5-ETHOXY-6-METHOXY-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE

Database identifiers

CAS: 63905-71-5
PubChem CID: 45113

Properties

Computed structural properties

Topological polar surface area: 35.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 198

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