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1723-70-2 molecular structure
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8-methoxyisoquinoline

ChemBase ID: 92140
Molecular Formular: C10H9NO
Molecular Mass: 159.18456
Monoisotopic Mass: 159.06841391
SMILES and InChIs

SMILES:
n1cc2c(cccc2cc1)OC
Canonical SMILES:
COc1cccc2c1cncc2
InChI:
InChI=1S/C10H9NO/c1-12-10-4-2-3-8-5-6-11-7-9(8)10/h2-7H,1H3
InChIKey:
HHZGHKIHHIKUHK-UHFFFAOYSA-N

Cite this record

CBID:92140 http://www.chembase.cn/molecule-92140.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methoxyisoquinoline
IUPAC Traditional name
8-methoxyisoquinoline
Synonyms
8-Methoxy-2-azanaphthalene
Isoquinolin-8-yl methyl ether
8-Methoxyisoquinoline 96%
8-METHOXYISOQUINOLINE
CAS Number
1723-70-2
MDL Number
MFCD09258766
PubChem SID
162078838
PubChem CID
11959084

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11959084 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1756215  LogD (pH = 7.4) 1.5769633 
Log P 1.5873789  Molar Refractivity 46.8145 cm3
Polarizability 19.513763 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
48-52°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
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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