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3382-18-1 molecular structure
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6,7-dimethoxy-3,4-dihydroisoquinoline

ChemBase ID: 236878
Molecular Formular: C11H13NO2
Molecular Mass: 191.22642
Monoisotopic Mass: 191.09462866
SMILES and InChIs

SMILES:
c12c(cc(c(c1)OC)OC)CCN=C2
Canonical SMILES:
COc1cc2C=NCCc2cc1OC
InChI:
InChI=1S/C11H13NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-7H,3-4H2,1-2H3
InChIKey:
NSLJVQUDZCZJLK-UHFFFAOYSA-N

Cite this record

CBID:236878 http://www.chembase.cn/molecule-236878.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6,7-dimethoxy-3,4-dihydroisoquinoline
IUPAC Traditional name
6,7-dimethoxy-3,4-dihydroisoquinoline
Synonyms
6,7-dimethoxy-3,4-dihydroisoquinoline
CAS Number
3382-18-1
MDL Number
MFCD00266748
PubChem SID
164292788
PubChem CID
30058

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 30058 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.5218308  LogD (pH = 7.4) 1.5836949 
Log P 1.6466317  Molar Refractivity 55.8318 cm3
Polarizability 20.79615 Å3 Polar Surface Area 30.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
198 - 202°C expand Show data source
Hydrophobicity(logP)
1.56 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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