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86759-23-1 molecular structure
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4-[2-(dimethylamino)ethoxy]-3-ethoxybenzaldehyde

ChemBase ID: 312312
Molecular Formular: C13H19NO3
Molecular Mass: 237.29486
Monoisotopic Mass: 237.13649347
SMILES and InChIs

SMILES:
c1(c(ccc(c1)C=O)OCCN(C)C)OCC
Canonical SMILES:
CCOc1cc(C=O)ccc1OCCN(C)C
InChI:
InChI=1S/C13H19NO3/c1-4-16-13-9-11(10-15)5-6-12(13)17-8-7-14(2)3/h5-6,9-10H,4,7-8H2,1-3H3
InChIKey:
DXVVPLONEXQGLR-UHFFFAOYSA-N

Cite this record

CBID:312312 http://www.chembase.cn/molecule-312312.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(dimethylamino)ethoxy]-3-ethoxybenzaldehyde
IUPAC Traditional name
4-[2-(dimethylamino)ethoxy]-3-ethoxybenzaldehyde
Synonyms
4-[2-(dimethylamino)ethoxy]-3-ethoxybenzaldehyde
CAS Number
86759-23-1
MDL Number
MFCD08691891

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6871645  LogD (pH = 7.4) 1.0726933 
Log P 1.7458581  Molar Refractivity 68.3361 cm3
Polarizability 26.149727 Å3 Polar Surface Area 38.77 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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