2-Benzyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline
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Basic information
- CAS
1823523-01-8- Standard SMILES
COc1ccc2c(c1)CCN(Cc1ccccc1)C2- InChIKey
IDPLGDDZKKYYFD-UHFFFAOYSA-N- Molecular formula
- C17H19NO
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.14666423
Names & identifiers
- Preferred name
- 2-Benzyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinoline
- English name
- 2-benzyl-6-Methoxy-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C17H19NO
- Molecular weight
- 253.34
Names & synonyms
2-benzyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline1823523-01-8MFCD280404762-BENZYL-6-METHOXY-3,4-DIHYDRO-1H-ISOQUINOLINEAKOS026670204AS-68156CS-0061984F20020Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-(phenylmethyl)-
Database identifiers
- CAS
1823523-01-8- PubChem CID
- 76847727
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 375.3 · 375.3±42.0 °C(Predicted)
- Density
- 1.103 · 1.103±0.06 g/cm3(Predicted)
- pka
- 7.6 · 7.60±0.20(Predicted)
- 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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