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728035-61-8 molecular structure
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2-(dimethylamino)quinoline-3-carbaldehyde

ChemBase ID: 30341
Molecular Formular: C12H12N2O
Molecular Mass: 200.23648
Monoisotopic Mass: 200.09496301
SMILES and InChIs

SMILES:
c1(nc2c(cc1C=O)cccc2)N(C)C
Canonical SMILES:
O=Cc1cc2ccccc2nc1N(C)C
InChI:
InChI=1S/C12H12N2O/c1-14(2)12-10(8-15)7-9-5-3-4-6-11(9)13-12/h3-8H,1-2H3
InChIKey:
RCRLBHNGTPRGJQ-UHFFFAOYSA-N

Cite this record

CBID:30341 http://www.chembase.cn/molecule-30341.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethylamino)quinoline-3-carbaldehyde
IUPAC Traditional name
2-(dimethylamino)quinoline-3-carbaldehyde
Synonyms
2-(dimethylamino)-3-quinolinecarbaldehyde
2-Dimethylamino-quinoline-3-carbaldehyde
2-(Dimethylamino)quinoline-3-carboxaldehyde 97%
2-(dimethylamino)quinoline-3-carbaldehyde
CAS Number
728035-61-8
MDL Number
MFCD06010203
PubChem SID
160993648
PubChem CID
1076116

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.466229  LogD (pH = 7.4) 2.5448015 
Log P 2.5459042  Molar Refractivity 61.3054 cm3
Polarizability 23.688211 Å3 Polar Surface Area 33.2 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
52-53°C expand Show data source
Storage Warning
Harmful expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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