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24430-56-6 molecular structure
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2-{[2-(quinolin-8-yl)hydrazin-1-ylidene]methyl}quinolin-8-ol

ChemBase ID: 156741
Molecular Formular: C19H14N4O
Molecular Mass: 314.34066
Monoisotopic Mass: 314.11676109
SMILES and InChIs

SMILES:
c1cc2cccnc2c(c1)N/N=C/c1ccc2cccc(c2n1)O
Canonical SMILES:
Oc1cccc2c1nc(/C=N/Nc1cccc3c1nccc3)cc2
InChI:
InChI=1S/C19H14N4O/c24-17-8-2-5-14-9-10-15(22-19(14)17)12-21-23-16-7-1-4-13-6-3-11-20-18(13)16/h1-12,23-24H
InChIKey:
MVRYUWHNRSHURE-UHFFFAOYSA-N

Cite this record

CBID:156741 http://www.chembase.cn/molecule-156741.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[2-(quinolin-8-yl)hydrazin-1-ylidene]methyl}quinolin-8-ol
IUPAC Traditional name
2-{[2-(quinolin-8-yl)hydrazin-1-ylidene]methyl}quinolin-8-ol
Synonyms
8-Hydroxy-2-quinolinecarboxaldehyde 8-quinolylhydrazone
CAS Number
24430-56-6
MDL Number
MFCD00168968
Beilstein Number
491761
PubChem SID
24879075
162250878
PubChem CID
5718136

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
55085 external link Add to cart Please log in.
Data Source Data ID
PubChem 5718136 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.271606  H Acceptors
H Donor LogD (pH = 5.5) 4.4747496 
LogD (pH = 7.4) 4.4794703  Log P 4.4869 
Molar Refractivity 93.818 cm3 Polarizability 37.542137 Å3
Polar Surface Area 70.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
205-210 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (HPLC) expand Show data source
Grade
purum expand Show data source
Empirical Formula (Hill Notation)
C19H14N4O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 55085 external link
Other Notes
Reagent for the sensitive determination of calcium1

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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