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66735-24-8 molecular structure
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6-chloro-2-methylquinolin-4-amine

ChemBase ID: 117239
Molecular Formular: C10H9ClN2
Molecular Mass: 192.64486
Monoisotopic Mass: 192.04542598
SMILES and InChIs

SMILES:
c12c(nc(cc1N)C)ccc(c2)Cl
Canonical SMILES:
Clc1ccc2c(c1)c(N)cc(n2)C
InChI:
InChI=1S/C10H9ClN2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3,(H2,12,13)
InChIKey:
LEQBRGIPLABKAS-UHFFFAOYSA-N

Cite this record

CBID:117239 http://www.chembase.cn/molecule-117239.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-2-methylquinolin-4-amine
IUPAC Traditional name
6-chloro-2-methylquinolin-4-amine
Synonyms
6-Chloro-2-methylquinolin-4-amine
6-chloro-2-methyl-4-quinolinamine
4-AMINO-6-CHLORO-2-METHYLQUINOLINE
CAS Number
66735-24-8
MDL Number
MFCD09787712
PubChem SID
162102114
PubChem CID
12411655

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.31794536  LogD (pH = 7.4) 1.4051472 
Log P 2.0373893  Molar Refractivity 54.076 cm3
Polarizability 21.707663 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
2.359 expand Show data source
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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