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60-35-5 molecular structure
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acetamide

ChemBase ID: 2457
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:2457 http://www.chembase.cn/molecule-2457.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
acetamide
IUPAC Traditional name
acetamide
Synonyms
Acetamide
Ethanamide
Acetamide 99%
Amide C2
Acetic Acid Amide
Acetamide
C2 酰胺
乙酰胺
CAS Number
60-35-5
EC Number
200-473-5
MDL Number
MFCD00008023
Beilstein Number
1071207
Merck Index
1443
PubChem SID
24849056
24886827
24278222
24844979
46506510
160965908
PubChem CID
178
CHEBI ID
27856
CHEMBL
16081
Chemspider ID
173
DrugBank ID
DB02736
KEGG ID
C06244
Unique Ingredient Identifier
8XOE1JSO29
Wikipedia Title
Acetamide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 16.745129  H Acceptors
H Donor LogD (pH = 5.5) -1.0302883 
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 
Log P -1.1  LOG S 0.8 
Solubility (Water) 3.69e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
2000 g L-1 in water expand Show data source
2250 mg/mL at 25 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] expand Show data source
ethanol 500 g L-1
pyridine 166.67 g L-1
soluble in chloroform, glycerol, benzene
expand Show data source
Apperance
Cryst. expand Show data source
sublimed expand Show data source
Melting Point
76-81°C expand Show data source
78-80 °C(lit.) expand Show data source
78-80°C expand Show data source
78-82 °C expand Show data source
79 - 81°C expand Show data source
81 expand Show data source
81°C expand Show data source
Boiling Point
220-222°C expand Show data source
221 °C(lit.) expand Show data source
221°C expand Show data source
221.2°C expand Show data source
222°C expand Show data source
Density
1.159 expand Show data source
1.159 g/ml expand Show data source
1.16 g/cm3 expand Show data source
Vapor Pressure
1 mmHg ( 65 °C) expand Show data source
10 mm Hg at 105 °C expand Show data source
Hydrophobicity(logP)
-1.26 [HANSCH,C ET AL. (1995)] expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate, Store Under Nitrogen expand Show data source
Storage Warning
Harmful/Carcinogenic/Hygroscopic/Moisture Sensitive/Store under Argon expand Show data source
RTECS
AB4025000 expand Show data source
European Hazard Symbols
Carc3 expand Show data source
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
40 expand Show data source
R:40 expand Show data source
R:40-58 expand Show data source
R40 expand Show data source
Safety Statements
36/37 expand Show data source
S:36/37 expand Show data source
S:36/37-61 expand Show data source
S2 S36/37 expand Show data source
EU Classification
M7 expand Show data source
EU Hazard Identification Number
13 expand Show data source
Emergency Response Guidebook(ERG) Number
171 expand Show data source
TSCA Listed
expand Show data source
EU Index
616-022-00-4 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
NFPA704
NFPA 704 diagram
1
3
1
expand Show data source
GHS Hazard statements
H351 expand Show data source
GHS Precautionary statements
P280H expand Show data source
P281 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Gene Information
rat ... Ggt1(116568) expand Show data source
Purity
~99% (GC) expand Show data source
≥98% expand Show data source
≥98.0% (GC) expand Show data source
≥99.0% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
zone-refined expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Purified By
sublimation expand Show data source
Linear Formula
CH3CONH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204619 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB02736 external link
Item Information
Drug Groups experimental
External Links
Wikipedia
RxList
Sigma Aldrich - 150703 external link
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 695122 external link
Packaging
1, 5 g in glass bottle
Sigma Aldrich - A0500 external link
包装
1 g in poly tube
100, 500 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Useful additive for brominations of acid-sensitive compounds in non-polar solvents since it forms a stable, insoluble 1:1 complex with HBr: Chem. Ber., 82, 275 (1949).
  • • For amidocarbonylation in the presence of carbon monoxide and hydrogen in a route to phenylalanine, see Benzyl chloride, A12481.
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PATENTS

PATENTS

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INTERNET

INTERNET

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