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64693-47-6 molecular structure
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4-[ethyl(methyl)amino]benzaldehyde

ChemBase ID: 308324
Molecular Formular: C10H13NO
Molecular Mass: 163.21632
Monoisotopic Mass: 163.09971404
SMILES and InChIs

SMILES:
c1(N(CC)C)ccc(C=O)cc1
Canonical SMILES:
CCN(c1ccc(cc1)C=O)C
InChI:
InChI=1S/C10H13NO/c1-3-11(2)10-6-4-9(8-12)5-7-10/h4-8H,3H2,1-2H3
InChIKey:
JHKGPGMTHIYKKK-UHFFFAOYSA-N

Cite this record

CBID:308324 http://www.chembase.cn/molecule-308324.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[ethyl(methyl)amino]benzaldehyde
IUPAC Traditional name
4-[ethyl(methyl)amino]benzaldehyde
Synonyms
4-[ethyl(methyl)amino]benzaldehyde
CAS Number
64693-47-6
MDL Number
MFCD09864610

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4028755 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1422956  LogD (pH = 7.4) 2.1504943 
Log P 2.1506  Molar Refractivity 51.8192 cm3
Polarizability 18.88908 Å3 Polar Surface Area 20.31 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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