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116057-81-9 molecular structure
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N,N-bis(2H3)methyl(2H3)acetamide

ChemBase ID: 303739
Molecular Formular: C4H9NO
Molecular Mass: 87.12036
Monoisotopic Mass: 87.06841391
SMILES and InChIs

SMILES:
CC(=O)N(C)C
Canonical SMILES:
CC(=O)N(C)C
InChI:
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
InChIKey:
FXHOOIRPVKKKFG-UHFFFAOYSA-N

Cite this record

CBID:303739 http://www.chembase.cn/molecule-303739.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-bis(2H3)methyl(2H3)acetamide
IUPAC Traditional name
N,N-bis(2H3)methyl(2H3)acetamide
Synonyms
N,N-Dimethylacetamide-d
CAS Number
116057-81-9
MDL Number
MFCD00066061

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) -0.5829362  LogD (pH = 7.4) -0.58293617 
Log P -0.58293617  Molar Refractivity 24.2593 cm3
Polarizability 9.313932 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Liquid, Ampouled under argon expand Show data source
Melting Point
-20°C expand Show data source
Boiling Point
165°C expand Show data source
Flash Point
70°C(158°F) expand Show data source
Density
1.035 expand Show data source
Refractive Index
1.4380 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Risk Statements
61-20/21 expand Show data source
Safety Statements
53-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Hazard statements
H360-H312-H332-H227-H303 expand Show data source
GHS Precautionary statements
P201-P308+P313 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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