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76419-97-1 molecular structure
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7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol

ChemBase ID: 799573
Molecular Formular: C11H15NO2
Molecular Mass: 193.2423
Monoisotopic Mass: 193.11027873
SMILES and InChIs

SMILES:
c1(cc2c(cc1O)CCNC2C)OC
Canonical SMILES:
COc1cc2C(C)NCCc2cc1O
InChI:
InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3
InChIKey:
YTPRLBGPGZHUPD-UHFFFAOYSA-N

Cite this record

CBID:799573 http://www.chembase.cn/molecule-799573.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
IUPAC Traditional name
salsoline
Synonyms
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CAS Number
76419-97-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14336 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14336 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.097057  H Acceptors
H Donor LogD (pH = 5.5) -1.580785 
LogD (pH = 7.4) -0.24950963  Log P 1.137235 
Molar Refractivity 55.4785 cm3 Polarizability 21.529408 Å3
Polar Surface Area 41.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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