Basic information
- CAS
56254-46-7- Standard SMILES
C=CCN1CCc2cc(OC)c(OC)cc2C1C- InChIKey
IPBZWOHTYPFMTH-UHFFFAOYSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.15722891
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-1-methyl-2-(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 6,7-dimethoxy-1-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
- English name
- (1S)-2-Allyl-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C15H21NO2
- Molecular weight
- 247.33
Names & synonyms
DTXSID409716846,7-dimethoxy-1-methyl-2-(prop-2-en-1-yl)-1,2,3,4-tetrahydroisoquinolineRefChem:1073595DTXCID3020879956254-46-7N-Allylsalsolidine(1S)-2-Allyl-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolineBRN 5036077(S)-2-Allyl-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolineBAS 02868997ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-ALLYL-6,7-DIMETHOXY-1-METHYL-, (S)-Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-2-(2-propenyl)-, (S)-
Show more names
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-2-(2-propenyl)-, (S)- (9CI)
Oprea1_212083Oprea1_464598STK995709AKOS000591191AKOS022091402AG-690/093000342-allyl-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- CAS
56254-46-7
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 331.9 · 331.9±42.0 °C(Predicted)
- Density
- 1.011 · 1.011±0.06 g/cm3(Predicted)
- pka
- 7.34 · 7.34±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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