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79-06-1 molecular structure
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prop-2-enamide

ChemBase ID: 103003
Molecular Formular: C3H5NO
Molecular Mass: 71.0779
Monoisotopic Mass: 71.03711379
SMILES and InChIs

SMILES:
NC(=O)C=C
Canonical SMILES:
NC(=O)C=C
InChI:
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
InChIKey:
HRPVXLWXLXDGHG-UHFFFAOYSA-N

Cite this record

CBID:103003 http://www.chembase.cn/molecule-103003.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
prop-2-enamide
IUPAC Traditional name
polyacrylamide
acrylamide
Synonyms
2-Propenamide
Acrylic acid amide
ACRYLAMIDE
Acrylamide solution
Acrylamide
Bio-Acrylamide 50
Ethylenecarboxamide
NSC 7785
Propenamide
Vinyl Amide
Acrylic Amide
Acrylamide, electrophoresis grade
丙烯酰胺 溶液
2-丙烯酰胺
丙烯酸酰胺
丙烯酰胺
丙烯酰胺, 电泳级, 99+%
CAS Number
79-06-1
EC Number
201-173-7
MDL Number
MFCD00008032
Beilstein Number
605349
6185892
Merck Index
14129
PubChem SID
24845186
24854208
24890783
24891037
162090253
24845185
24891378
24891226
24890742
PubChem CID
6579
CHEBI ID
28619
CHEMBL
348107
Chemspider ID
6331
KEGG ID
C01659
Unique Ingredient Identifier
20R035KLCI
Wikipedia Title
Acrylamide

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.699757  H Acceptors
H Donor LogD (pH = 5.5) -0.2739967 
LogD (pH = 7.4) -0.27399534  Log P -0.2739953 
Molar Refractivity 19.1136 cm3 Polarizability 7.2341156 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)
Solubility
2.04 kg/L (25 °C) in water expand Show data source
H2O: soluble0.25 g/mL at 20 °C, clear, colorless expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
Crystalline expand Show data source
powder expand Show data source
White Solid expand Show data source
Melting Point
76-78°C expand Show data source
81-87 °C expand Show data source
82-85°C expand Show data source
82-86 °C(lit.) expand Show data source
84.5 °C at ca. 2.33 hPa expand Show data source
84.5°C expand Show data source
Boiling Point
– (polymerization) expand Show data source
125 °C at 33.3 hPa expand Show data source
125 °C/25 mmHg(lit.) expand Show data source
125°C/25mm expand Show data source
Flash Point
138 °C expand Show data source
138.05°C expand Show data source
138°C(280°F) expand Show data source
280.4 °F expand Show data source
Auto Ignition Point
424 °C expand Show data source
Density
1.127 g/cm3 at 25 °C expand Show data source
1.13 g/cm3 expand Show data source
1.322 expand Show data source
Vapor Pressure
0.03 mmHg ( 40 °C) expand Show data source
ca. 20 hPa at 20 °C expand Show data source
Vapor Density
2.45 (vs air) expand Show data source
2.5 (air = 1) expand Show data source
Conductivity
≤10 μmho (35% solution) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Room Temperature (15-30°C), Desiccate expand Show data source
Storage Warning
Air & Light Sensitive expand Show data source
Light Sensitive expand Show data source
RTECS
AS3325000 expand Show data source
European Hazard Symbols
Carc2 expand Show data source
Muta2 expand Show data source
Repr3 expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
2074 expand Show data source
3426 expand Show data source
UN2074 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
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
2WE expand Show data source
Risk Statements
45-46-20/21-25-36/38-43-48/23/24/25-62 expand Show data source
R:48/23/24/25-45-46 expand Show data source
R45, R46, R20/21,
R25, R36/38, R43,
R48/23/24/25, R62
expand Show data source
Safety Statements
53-26-36/37-45 expand Show data source
53-45 expand Show data source
S:45-53 expand Show data source
S53, S45 expand Show data source
EU Classification
T2 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
153P expand Show data source
TSCA Listed
expand Show data source
EU Index
616-003-00-0 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
2
3
2
expand Show data source
GHS Hazard statements
301, 312, 315, 317, 319, 332, 340, 350, 361, 372 expand Show data source
H301-H312-H315-H317-H319-H332-H340-H350-H361f-H372 expand Show data source
H301-H312-H332-H315-H319-H317-H340-H350-H372-H361 expand Show data source
H302 + H332-H315-H317-H319-H340-H350-H361f-H372 expand Show data source
H302-H315-H317-H319-H330-H334-H340-H350-H361f-H372 expand Show data source
H302-H315-H317-H319-H330-H340-H350-H361f-H372 expand Show data source
GHS Precautionary statements
201, 280, 301+310, 305+351+338, 308+313 expand Show data source
P201-P260-P280-P284-P305 + P351 + P338-P310 expand Show data source
P201-P280-P301 + P310-P305 + P351 + P338-P308 + P313 expand Show data source
P201-P280-P305 + P351 + P338-P308 + P313 expand Show data source
P260-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, 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
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2074 6.1/PG 3 expand Show data source
UN 3426 6.1/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
room temp expand Show data source
Purity
≥98.0% expand Show data source
≥98.0% (GC) expand Show data source
≥99% expand Show data source
≥99% (HPLC) expand Show data source
≥99.5% (GC) expand Show data source
≥99.8% (GC) expand Show data source
≥99.9% expand Show data source
95+% expand Show data source
97% expand Show data source
98+% expand Show data source
99.9% expand Show data source
99+% expand Show data source
Concentration
40% expand Show data source
40% in H2O expand Show data source
Grade
analytical standard expand Show data source
electrophoresis grade expand Show data source
for electrophoresis expand Show data source
for molecular biology expand Show data source
purum expand Show data source
SAJ first grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
in accordance for electrophoresis test expand Show data source
suitable for electrophoresis expand Show data source
Impurities
≤0.005% Acrylic acid expand Show data source
≤0.005% Acrylic acid content expand Show data source
≤0.005% Insoluble in water expand Show data source
≤0.005% Water insolubles expand Show data source
DNases, none detected expand Show data source
phosphatases, none detected expand Show data source
proteases, none detected expand Show data source
RNases, none detected expand Show data source
Cation Traces
Ca: ≤10 mg/kg expand Show data source
Ca: ≤5 mg/kg expand Show data source
Cd: ≤1 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤1 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤1 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤1 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤1 mg/kg expand Show data source
Fe: ≤1 ppm expand Show data source
Fe: ≤5 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source