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238756-47-3 molecular structure
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2-chloroquinolin-6-amine

ChemBase ID: 291914
Molecular Formular: C9H7ClN2
Molecular Mass: 178.61828
Monoisotopic Mass: 178.02977591
SMILES and InChIs

SMILES:
Nc1cc2c(cc1)nc(Cl)cc2
Canonical SMILES:
Nc1ccc2c(c1)ccc(n2)Cl
InChI:
InChI=1S/C9H7ClN2/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H,11H2
InChIKey:
JNHREQJNIDQTRH-UHFFFAOYSA-N

Cite this record

CBID:291914 http://www.chembase.cn/molecule-291914.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloroquinolin-6-amine
IUPAC Traditional name
2-chloroquinolin-6-amine
Synonyms
2-Chloroquinolin-6-amine
CAS Number
238756-47-3
MDL Number
MFCD11847785
PubChem SID
180677445
PubChem CID
15445054

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD237142 Please log in.
Data Source Data ID
PubChem 15445054 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1243777  LogD (pH = 7.4) 2.1261735 
Log P 2.1261964  Molar Refractivity 50.5458 cm3
Polarizability 20.005041 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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