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23385-44-6 molecular structure
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2-ethoxy-4-methylaniline

ChemBase ID: 19882
Molecular Formular: C9H13NO
Molecular Mass: 151.20562
Monoisotopic Mass: 151.09971404
SMILES and InChIs

SMILES:
c1(c(ccc(c1)C)N)OCC
Canonical SMILES:
CCOc1cc(C)ccc1N
InChI:
InChI=1S/C9H13NO/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6H,3,10H2,1-2H3
InChIKey:
QINJFUHLZDSQIC-UHFFFAOYSA-N

Cite this record

CBID:19882 http://www.chembase.cn/molecule-19882.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethoxy-4-methylaniline
IUPAC Traditional name
2-ethoxy-4-methylaniline
Synonyms
2-Ethoxy-4-methylaniline
CAS Number
23385-44-6
MDL Number
MFCD08687710
PubChem SID
160983189
PubChem CID
24706534

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 24706534 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7745254  LogD (pH = 7.4) 1.8557365 
Log P 1.8568779  Molar Refractivity 47.0114 cm3
Polarizability 17.596317 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.212 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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