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77732-09-3 molecular structure
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N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide

ChemBase ID: 158025
Molecular Formular: C14H18N2O4
Molecular Mass: 278.30372
Monoisotopic Mass: 278.12665707
SMILES and InChIs

SMILES:
Cc1cccc(c1N(C(=O)COC)N1CCOC1=O)C
Canonical SMILES:
COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
InChI:
InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3
InChIKey:
UWVQIROCRJWDKL-UHFFFAOYSA-N

Cite this record

CBID:158025 http://www.chembase.cn/molecule-158025.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide
IUPAC Traditional name
oxadixyl
Synonyms
Oxadixyl
n-(2,6-dimethylphenyl)-2-methoxy-n-(2-oxo-3-oxazolidinyl)acetamide
噁霜灵
CAS Number
77732-09-3
MDL Number
MFCD00145052
Beilstein Number
7098783
PubChem SID
24861186
162252161
PubChem CID
53735

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53735 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.3888445  H Acceptors
H Donor LogD (pH = 5.5) 1.7860603 
LogD (pH = 7.4) 1.7860602  Log P 1.7860603 
Molar Refractivity 73.0932 cm3 Polarizability 28.018572 Å3
Polar Surface Area 59.08 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
>100 °C expand Show data source
>212 °F expand Show data source
RTECS
AB8131400 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Grade
PESTANAL®, analytical standard expand Show data source
Empirical Formula (Hill Notation)
C14H18N2O4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 34365 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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