Completing data — usually done within a minute
Basic information
- CAS
1078-27-9- Standard SMILES
COc1cc2c(cc1O)CCNC2.Cl- InChIKey
NGSIKEMUWGSYPG-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO2
- Average molar mass
- 215.67 g/mol
- Monoisotopic mass
- 215.07130637
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydro-6-hydroxy-7-methoxy-isoquinoline-hydrochloride
- IUPAC
- 7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol;hydrochloride
Names & synonyms
1078-27-91,2,3,4-tetrahydro-6-hydroxy-7-methoxy-isoquinoline-hydrochlorideSCHEMBL5600419DTXSID30637585NGSIKEMUWGSYPG-UHFFFAOYSA-N6-Isoquinolinol, 1,2,3,4-tetrahydro-7-methoxy-, hydrochlorideNSC88920NSC-889207-Methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol;hydrochloride7-Methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
1078-27-9- PubChem CID
- 24189397
- DTXSID
DTXSID30637585
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Related reactions
1 records
Compound notes
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