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116998-62-0 molecular structure
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3-(2-ethoxyethoxy)aniline

ChemBase ID: 307819
Molecular Formular: C10H15NO2
Molecular Mass: 181.2316
Monoisotopic Mass: 181.11027873
SMILES and InChIs

SMILES:
c1c(N)cccc1OCCOCC
Canonical SMILES:
CCOCCOc1cccc(c1)N
InChI:
InChI=1S/C10H15NO2/c1-2-12-6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,2,6-7,11H2,1H3
InChIKey:
IWVOFNFQYNJRLN-UHFFFAOYSA-N

Cite this record

CBID:307819 http://www.chembase.cn/molecule-307819.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-ethoxyethoxy)aniline
IUPAC Traditional name
3-(2-ethoxyethoxy)aniline
Synonyms
3-(2-ethoxyethoxy)aniline
CAS Number
116998-62-0
MDL Number
MFCD08691684

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) 1.2832483  LogD (pH = 7.4) 1.2963119 
Log P 1.296481  Molar Refractivity 53.0137 cm3
Polarizability 20.201288 Å3 Polar Surface Area 44.48 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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