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114058-79-6 molecular structure
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4-methylquinolin-7-amine

ChemBase ID: 288697
Molecular Formular: C10H10N2
Molecular Mass: 158.1998
Monoisotopic Mass: 158.08439833
SMILES and InChIs

SMILES:
Cc1ccnc2c1ccc(N)c2
Canonical SMILES:
Nc1ccc2c(c1)nccc2C
InChI:
InChI=1S/C10H10N2/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-6H,11H2,1H3
InChIKey:
MEWHVQCJPFDWIO-UHFFFAOYSA-N

Cite this record

CBID:288697 http://www.chembase.cn/molecule-288697.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methylquinolin-7-amine
IUPAC Traditional name
4-methylquinolin-7-amine
Synonyms
4-Methylquinolin-7-amine
CAS Number
114058-79-6
MDL Number
MFCD11101020
PubChem SID
180674228
PubChem CID
503989

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD211581 Please log in.
Data Source Data ID
PubChem 503989 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6040668  LogD (pH = 7.4) 1.5890741 
Log P 1.815396  Molar Refractivity 49.7209 cm3
Polarizability 19.922314 Å3 Polar Surface Area 38.91 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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