(±)-Demethylcoclaurine hydrochloride
Properties
- Molecular formula
- C16H18ClNO3
- Molar mass
- 307.77 g/mol
- Exact mass
- 307.0975 Da
- logP
- 2.65Crippen estimate
- Polar surface area
- 72.7 Ų
- H-bond donors / acceptors
- 4 / 4
- Rotatable bonds
- 2
Identifiers
CAS number
11041-94-4SMILES
Cl.Oc1ccc(CC2NCCc3cc(O)c(O)cc32)cc1InChIKey
SWWQQSDRUYSMAR-UHFFFAOYSA-NInChI
InChI=1S/C16H17NO3.ClH/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14;/h1-4,8-9,14,17-20H,5-7H2;1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-, hydrochloride (1:1)
- 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-, hydrochloride, (±)-
- 6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-, hydrochloride
- Higenamine hydrochloride