Anhalamine
Basic information
- CAS
643-60-7- Standard SMILES
COc1cc2c(c(O)c1OC)CNCC2- InChIKey
DVQVXTPSJBCBJI-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Overview
Epinorgalanthamine is a member of isoquinolines.
Names & identifiers
- Preferred name
- Anhalamine
- IUPAC
- 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-ol
- English name
- anhalamine
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
AnhalamineN-Demethylanhalidine6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-8-olUNII-J4WH1Y00ONJ4WH1Y00ONANHALAMINE [MI]8-Isoquinolinol, 1,2,3,4-tetrahydro-6,7-dimethoxy-DTXSID802145271,2,3,4-tetrahydro-6,7-dimethoxy-8-isoquinolinol6,7-dimethoxy-8-hydroxy-1,2,3,4-tetrahydroisoquinolineRefChem:112756DTXCID10137018
Show more names
1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinolin-8-ol1,2,3,4-Tetrahydro-8-hydroxy-6,7-dimethoxyisoquinoline
DVQVXTPSJBCBJI-UHFFFAOYSA-N643-60-7AC1L2C1ESureCN675760SCHEMBL675760SCHEMBL29396030CHEBI:31543AKOS004902004
Database identifiers
- CAS
643-60-7- PubChem CID
- 69510
- DTXSID
DTXSID80214527- ChEBI
CHEBI:31543- UNII
- J4WH1Y00ON
- Nikkaji
- J12.290D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Hallucinogens
Physicochemical properties
- Melting point
- 189 · 189-191°
- Boiling point
- 348.6 °C · 348.6°C (rough estimate)
- Density
- 1.1547 · 1.1547 (rough estimate)
- refractive index
- 1.508 · 1.5080 (estimate)
- pka
- 9.56 · 9.56±0.20(Predicted)
- FDA UNII
- 4 WH1Y00ON · J4WH1Y00ON
- Comptox DTXSID
- 80214527 · DTXSID80214527
Chemistry & industry
Additional notes
DefinitionChEBI: Epinorgalanthamine is a member of isoquinolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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