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50358-40-2 molecular structure
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8-methylquinolin-5-amine

ChemBase ID: 14509
Molecular Formular: C10H10N2
Molecular Mass: 158.1998
Monoisotopic Mass: 158.08439833
SMILES and InChIs

SMILES:
c12c(c(ccc1N)C)nccc2
Canonical SMILES:
Nc1ccc(c2c1cccn2)C
InChI:
InChI=1S/C10H10N2/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h2-6H,11H2,1H3
InChIKey:
PILPIITVELSUBH-UHFFFAOYSA-N

Cite this record

CBID:14509 http://www.chembase.cn/molecule-14509.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-methylquinolin-5-amine
IUPAC Traditional name
8-methylquinolin-5-amine
Synonyms
8-methylquinolin-5-amine
8-methyl-5-quinolinamine
8-Methyl-quinolin-5-ylamine
CAS Number
50358-40-2
MDL Number
MFCD03724045
PubChem SID
160977816
PubChem CID
304808

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6318947  LogD (pH = 7.4) 1.8124598 
Log P 1.815396  Molar Refractivity 49.7209 cm3
Polarizability 19.926636 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
144 - 146°C expand Show data source
Hydrophobicity(logP)
1.976 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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