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33675-83-1 molecular structure
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(2H3)ethan(2H2)amide

ChemBase ID: 138262
Molecular Formular: C2H5NO
Molecular Mass: 59.0672
Monoisotopic Mass: 59.03711379
SMILES and InChIs

SMILES:
CC(=O)N
Canonical SMILES:
CC(=O)N
InChI:
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
InChIKey:
DLFVBJFMPXGRIB-UHFFFAOYSA-N

Cite this record

CBID:138262 http://www.chembase.cn/molecule-138262.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H3)ethan(2H2)amide
IUPAC Traditional name
(2H3)ethan(2H2)amide
Synonyms
Acetamide-d5
CAS Number
33675-83-1
MDL Number
MFCD00190374
PubChem SID
162232519
24868883
PubChem CID
16212963

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
454095 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212963 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.745129  H Acceptors
H Donor LogD (pH = 5.5) -1.0302885 
LogD (pH = 7.4) -1.0302883  Log P -1.0302883 
Molar Refractivity 14.4659 cm3 Polarizability 5.658248 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
78-80 °C(lit.) expand Show data source
Boiling Point
221 °C(lit.) expand Show data source
Mass Shift
M+5 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Isotopic Purity
99 atom % D expand Show data source
Mol. Weight
mol wt 64.05 by atom % calculation expand Show data source
Linear Formula
CD3COND2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 454095 external link
Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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