5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
Basic information
- CAS
63905-67-9- Standard SMILES
COc1ccc2c(c1OC)CC[NH2+]C2.[Cl-]- InChIKey
QPBAENLXKAWWOO-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO2
- Average molar mass
- 229.7 g/mol
- Monoisotopic mass
- 229.0869564
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)
- IUPAC
- 5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
- English name
- Isoquinoline,1,2,3,4-tetrahydro-5,6-dimethoxy-, hydrochloride (1:1)
- Molecular formula
- C11H16ClNO2
- Molecular weight
- 229.7
Names & synonyms
DTXSID909808875,6-Dimethoxy-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)RefChem:1072202DTXCID20140816063905-67-9ISOQUINOLINE, 5,6-DIMETHOXY-1,2,3,4-TETRAHYDRO-, HYDROCHLORIDE5,6-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride5,6-dimethoxy-1,2,3,4-tetrahydro-isoquinoline hydrochlorideIsoquinoline,1,2,3,4-tetrahydro-5,6-dimethoxy-, hydrochloride (1:1)
Database identifiers
- CAS
63905-67-9- PubChem CID
- 45107
Properties
Computed structural properties
- Topological polar surface area
- 35.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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