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2680-03-7 molecular structure
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N,N-dimethylprop-2-enamide

ChemBase ID: 103205
Molecular Formular: C5H9NO
Molecular Mass: 99.13106
Monoisotopic Mass: 99.06841391
SMILES and InChIs

SMILES:
CN(C)C(=O)C=C
Canonical SMILES:
C=CC(=O)N(C)C
InChI:
InChI=1S/C5H9NO/c1-4-5(7)6(2)3/h4H,1H2,2-3H3
InChIKey:
YLGYACDQVQQZSW-UHFFFAOYSA-N

Cite this record

CBID:103205 http://www.chembase.cn/molecule-103205.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethylprop-2-enamide
IUPAC Traditional name
N,N-dimethylacrylamide
Synonyms
N,N-Dimethylacrylamide
DMAA
N,N-DIMETHYLACRYLAMIDE
N,N-二甲基丙烯酰胺
CAS Number
2680-03-7
EC Number
220-237-5
MDL Number
MFCD00008626
Beilstein Number
1742219
PubChem SID
24856566
162090329
24864246
PubChem CID
17587

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.17335626  LogD (pH = 7.4) 0.1733568 
Log P 0.17335682  Molar Refractivity 28.907 cm3
Polarizability 10.906219 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Boiling Point
80 - 81°C expand Show data source
80-81 °C/20 mmHg(lit.) expand Show data source
82-84°C/21mm expand Show data source
Flash Point
158 °F expand Show data source
70 °C expand Show data source
71°C(161°F) expand Show data source
77°C expand Show data source
Density
0.962 expand Show data source
0.962 g/ml expand Show data source
0.962 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4730 expand Show data source
n20/D 1.473(lit.) expand Show data source
n20/D 1.474 expand Show data source
Storage Condition
0°C, Protect from light expand Show data source
Storage Warning
Light Sensitive expand Show data source
RTECS
AU3230000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2810 expand Show data source
UN2810 expand Show data source
MSDS Link
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
Risk Statements
21/22-23 expand Show data source
21/22-23-36 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-36/37-45 expand Show data source
36/37-45 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H311 + H331-H319 expand Show data source
H302-H311-H319-H331 expand Show data source
H331-H302-H312-H227 expand Show data source
GHS Precautionary statements
P210-P261-P302+P352-P321-P405-P501A expand Show data source
P261-P280-P305 + P351 + P338-P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 3 expand Show data source
Purity
≥98.0% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
99.5%, stab. with 100ppm 4-methoxyphenol expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Contains
~0.05% hydroquinone monomethyl ether as stabilizer expand Show data source
500 ppm monomethyl ether hydroquinone as inhibitor expand Show data source
Linear Formula
CH2=CHCON(CH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02150929 external link
Stabilized with 100 ppm butyl-hydroxyanisole.
Useful monomer for synthetic fibers and plastics.
Sigma Aldrich - 274135 external link
Packaging
5, 100, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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