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5432-09-7 molecular structure
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5-chloroquinolin-8-amine

ChemBase ID: 254118
Molecular Formular: C9H7ClN2
Molecular Mass: 178.61828
Monoisotopic Mass: 178.02977591
SMILES and InChIs

SMILES:
c12c(nccc2)c(ccc1Cl)N
Canonical SMILES:
Clc1ccc(c2c1cccn2)N
InChI:
InChI=1S/C9H7ClN2/c10-7-3-4-8(11)9-6(7)2-1-5-12-9/h1-5H,11H2
InChIKey:
TVSJIVLFKNZFBJ-UHFFFAOYSA-N

Cite this record

CBID:254118 http://www.chembase.cn/molecule-254118.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloroquinolin-8-amine
IUPAC Traditional name
5-chloroquinolin-8-amine
Synonyms
5-chloroquinolin-8-amine
CAS Number
5432-09-7
MDL Number
MFCD00461243
PubChem SID
164310028
PubChem CID
224860

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-28776 external link Add to cart Please log in.
Data Source Data ID
PubChem 224860 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.560148  H Acceptors
H Donor LogD (pH = 5.5) 1.9035139 
LogD (pH = 7.4) 1.9059875  Log P 1.9060192 
Molar Refractivity 49.4845 cm3 Polarizability 19.954338 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.307 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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