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2210-25-5 molecular structure
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N-(propan-2-yl)prop-2-enamide

ChemBase ID: 143381
Molecular Formular: C6H11NO
Molecular Mass: 113.15764
Monoisotopic Mass: 113.08406398
SMILES and InChIs

SMILES:
CC(C)NC(=O)C=C
Canonical SMILES:
C=CC(=O)NC(C)C
InChI:
InChI=1S/C6H11NO/c1-4-6(8)7-5(2)3/h4-5H,1H2,2-3H3,(H,7,8)
InChIKey:
QNILTEGFHQSKFF-UHFFFAOYSA-N

Cite this record

CBID:143381 http://www.chembase.cn/molecule-143381.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(propan-2-yl)prop-2-enamide
IUPAC Traditional name
N-isopropylacrylamide
Synonyms
NIPAM
N-Isopropylacrylamide
N-Isopropylacrylamide
N-(propan-2-yl)prop-2-enamide
N-异丙基丙烯酰胺
CAS Number
2210-25-5
EC Number
218-638-5
MDL Number
MFCD00041913
PubChem SID
24865991
162237601
PubChem CID
16637

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.347107  H Acceptors
H Donor LogD (pH = 5.5) 0.72306305 
LogD (pH = 7.4) 0.7230637  Log P 0.7230637 
Molar Refractivity 33.1777 cm3 Polarizability 12.746525 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
60 - 63°C expand Show data source
60-63 °C(lit.) expand Show data source
63-67 °C expand Show data source
Boiling Point
89-92 °C/2 mmHg(lit.) expand Show data source
Hydrophobicity(logP)
0.255 expand Show data source
RTECS
AS3675000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99% expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Linear Formula
H2C=CHCONHCH(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 415324 external link
Application
N-Isopropylacrylamide is used to produce poly(N-isopropylacrylamide) (pNIPA, pNIPAAm, pNIPAA or pNIPAm) thermosensitive polymer- or copolymer-based hydrogels. Polymers that contain NIPAM shrink dramatically above 33 °C.
Monomer used in the preparation of thermally sensitive, water-swellable hydrogels.
Packaging
10, 50 g in poly bottle
Sigma Aldrich - 731129 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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