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877402-49-8 molecular structure
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1-methoxy-3,4-dihydroisoquinoline

ChemBase ID: 803942
Molecular Formular: C10H11NO
Molecular Mass: 161.20044
Monoisotopic Mass: 161.08406398
SMILES and InChIs

SMILES:
c1cc2c(cc1)CCN=C2OC
Canonical SMILES:
COC1=NCCc2c1cccc2
InChI:
InChI=1S/C10H11NO/c1-12-10-9-5-3-2-4-8(9)6-7-11-10/h2-5H,6-7H2,1H3
InChIKey:
SQEPZQFOYGZCJQ-UHFFFAOYSA-N

Cite this record

CBID:803942 http://www.chembase.cn/molecule-803942.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methoxy-3,4-dihydroisoquinoline
IUPAC Traditional name
1-methoxy-3,4-dihydroisoquinoline
Synonyms
3,4-DIHYDRO-1-METHOXYISOQUINOLINE
CAS Number
877402-49-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20702 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20702 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9264494  LogD (pH = 7.4) 2.0185716 
Log P 2.0198822  Molar Refractivity 48.6156 cm3
Polarizability 18.365616 Å3 Polar Surface Area 21.59 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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