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34146-68-4 molecular structure
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8-methoxy-1,2,3,4-tetrahydroisoquinoline

ChemBase ID: 287970
Molecular Formular: C10H13NO
Molecular Mass: 163.21632
Monoisotopic Mass: 163.09971404
SMILES and InChIs

SMILES:
COc1cccc2c1CNCC2
Canonical SMILES:
COc1cccc2c1CNCC2
InChI:
InChI=1S/C10H13NO/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-4,11H,5-7H2,1H3
InChIKey:
VEYNNZSFJBDSPI-UHFFFAOYSA-N

Cite this record

CBID:287970 http://www.chembase.cn/molecule-287970.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methoxy-1,2,3,4-tetrahydroisoquinoline
IUPAC Traditional name
8-methoxy-1,2,3,4-tetrahydroisoquinoline
Synonyms
8-Methoxy-1,2,3,4-tetrahydroisoquinoline
CAS Number
34146-68-4
MDL Number
MFCD11042690
PubChem SID
180673501
PubChem CID
12950747

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD163772 Please log in.
Data Source Data ID
PubChem 12950747 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.512877  LogD (pH = 7.4) 0.084932216 
Log P 1.4138119  Molar Refractivity 49.0788 cm3
Polarizability 19.094364 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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