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63768-20-7 molecular structure
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6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

ChemBase ID: 12568
Molecular Formular: C17H20ClNO2
Molecular Mass: 305.7992
Monoisotopic Mass: 305.11825657
SMILES and InChIs

SMILES:
c1(cc2c(cc1OC)CCNC2c1ccccc1)OC.Cl
Canonical SMILES:
COc1cc2c(cc1OC)CCNC2c1ccccc1.Cl
InChI:
InChI=1S/C17H19NO2.ClH/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2;/h3-7,10-11,17-18H,8-9H2,1-2H3;1H
InChIKey:
XCBCMNDFDVDUDF-UHFFFAOYSA-N

Cite this record

CBID:12568 http://www.chembase.cn/molecule-12568.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
IUPAC Traditional name
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
Synonyms
6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride
6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
CAS Number
63768-20-7
MDL Number
MFCD00800512
PubChem SID
160975875
PubChem CID
12627730

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12627730 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.22716081  LogD (pH = 7.4) 1.8965186 
Log P 3.0403807  Molar Refractivity 79.8248 cm3
Polarizability 31.209322 Å3 Polar Surface Area 30.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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