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5205-93-6 molecular structure
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N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide

ChemBase ID: 110306
Molecular Formular: C9H18N2O
Molecular Mass: 170.25202
Monoisotopic Mass: 170.14191321
SMILES and InChIs

SMILES:
CN(C)CCCNC(=O)C(=C)C
Canonical SMILES:
CN(CCCNC(=O)C(=C)C)C
InChI:
InChI=1S/C9H18N2O/c1-8(2)9(12)10-6-5-7-11(3)4/h1,5-7H2,2-4H3,(H,10,12)
InChIKey:
GDFCSMCGLZFNFY-UHFFFAOYSA-N

Cite this record

CBID:110306 http://www.chembase.cn/molecule-110306.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide
IUPAC Traditional name
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide
Synonyms
N-[3-(Dimethylamino)propyl]methacrylamide
3-DIMETHYLAMINOPROPYL-METHYLACRYLAMIDE
N-(3-(Dimethylamino)propyl)methacrylamide
N-[(3-(二甲氨基)丙基]甲基丙烯酰胺
CAS Number
5205-93-6
EC Number
226-002-3
MDL Number
MFCD00038359
PubChem SID
24865649
162090503
PubChem CID
78882

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 78882 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.432442  H Acceptors
H Donor LogD (pH = 5.5) -2.900015 
LogD (pH = 7.4) -1.4688107  Log P 0.4238355 
Molar Refractivity 51.2519 cm3 Polarizability 19.800343 Å3
Polar Surface Area 32.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
134 °C/2 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.94 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.479(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
36-38 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95+% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
H2C=C(CH3)CONH(CH2)3N(CH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214502 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 409472 external link
Packaging
1 L in poly bottle
250 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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