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53899-17-5 molecular structure
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8-methoxy-1,2,3,4-tetrahydroquinoline

ChemBase ID: 255903
Molecular Formular: C10H13NO
Molecular Mass: 163.21632
Monoisotopic Mass: 163.09971404
SMILES and InChIs

SMILES:
c12NCCCc2cccc1OC
Canonical SMILES:
COc1cccc2c1NCCC2
InChI:
InChI=1S/C10H13NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2,4,6,11H,3,5,7H2,1H3
InChIKey:
ZPRWUIXDTQZKJO-UHFFFAOYSA-N

Cite this record

CBID:255903 http://www.chembase.cn/molecule-255903.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methoxy-1,2,3,4-tetrahydroquinoline
IUPAC Traditional name
8-methoxy-1,2,3,4-tetrahydroquinoline
Synonyms
8-methoxy-1,2,3,4-tetrahydroquinoline
CAS Number
53899-17-5
MDL Number
MFCD07800307
PubChem SID
164311813
PubChem CID
5200345

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-35216 external link Add to cart Please log in.
Data Source Data ID
PubChem 5200345 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5527698  LogD (pH = 7.4) 1.7692112 
Log P 1.7728099  Molar Refractivity 50.6256 cm3
Polarizability 18.706072 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.288 expand Show data source
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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