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266690-48-6 molecular structure
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6-methoxyisoquinolin-1-amine

ChemBase ID: 289817
Molecular Formular: C10H10N2O
Molecular Mass: 174.1992
Monoisotopic Mass: 174.07931295
SMILES and InChIs

SMILES:
Nc1nccc2c1ccc(OC)c2
Canonical SMILES:
COc1ccc2c(c1)ccnc2N
InChI:
InChI=1S/C10H10N2O/c1-13-8-2-3-9-7(6-8)4-5-12-10(9)11/h2-6H,1H3,(H2,11,12)
InChIKey:
CPHNYLVFPAMYLD-UHFFFAOYSA-N

Cite this record

CBID:289817 http://www.chembase.cn/molecule-289817.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxyisoquinolin-1-amine
IUPAC Traditional name
6-methoxyisoquinolin-1-amine
Synonyms
6-Methoxyisoquinolin-1-amine
CAS Number
266690-48-6
PubChem SID
180675348
PubChem CID
15538409

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15538409 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.08498752  LogD (pH = 7.4) 0.7991787 
Log P 1.3529104  Molar Refractivity 51.8284 cm3
Polarizability 20.616182 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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