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944890-27-1 molecular structure
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1-(3-amino-4-ethoxyphenyl)ethan-1-one

ChemBase ID: 308700
Molecular Formular: C10H13NO2
Molecular Mass: 179.21572
Monoisotopic Mass: 179.09462866
SMILES and InChIs

SMILES:
c1(cc(c(cc1)OCC)N)C(=O)C
Canonical SMILES:
CCOc1ccc(cc1N)C(=O)C
InChI:
InChI=1S/C10H13NO2/c1-3-13-10-5-4-8(7(2)12)6-9(10)11/h4-6H,3,11H2,1-2H3
InChIKey:
CBMYGMRLSCLFPD-UHFFFAOYSA-N

Cite this record

CBID:308700 http://www.chembase.cn/molecule-308700.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-amino-4-ethoxyphenyl)ethan-1-one
IUPAC Traditional name
1-(3-amino-4-ethoxyphenyl)ethanone
Synonyms
1-(3-amino-4-ethoxyphenyl)ethanone
CAS Number
944890-27-1
MDL Number
MFCD09754933

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8979761  LogD (pH = 7.4) 0.9010646 
Log P 0.9011041  Molar Refractivity 52.373 cm3
Polarizability 19.561323 Å3 Polar Surface Area 52.32 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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