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158753-17-4 molecular structure
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8-aminoquinoline-7-carbaldehyde

ChemBase ID: 52805
Molecular Formular: C10H8N2O
Molecular Mass: 172.18332
Monoisotopic Mass: 172.06366289
SMILES and InChIs

SMILES:
n1cccc2ccc(c(c12)N)C=O
Canonical SMILES:
O=Cc1ccc2c(c1N)nccc2
InChI:
InChI=1S/C10H8N2O/c11-9-8(6-13)4-3-7-2-1-5-12-10(7)9/h1-6H,11H2
InChIKey:
ZAMLCNSCTZZXCU-UHFFFAOYSA-N

Cite this record

CBID:52805 http://www.chembase.cn/molecule-52805.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-aminoquinoline-7-carbaldehyde
IUPAC Traditional name
8-aminoquinoline-7-carbaldehyde
Synonyms
8-Aminoquinoline-7-carbaldehyde
CAS Number
158753-17-4
MDL Number
MFCD11110554
PubChem SID
162057568
PubChem CID
11052098

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 11052098 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.016726  H Acceptors
H Donor LogD (pH = 5.5) 1.6641172 
LogD (pH = 7.4) 1.6644723  Log P 1.6644769 
Molar Refractivity 51.2637 cm3 Polarizability 20.000988 Å3
Polar Surface Area 55.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
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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