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16715-83-6 molecular structure
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2-[bis(propan-2-yl)amino]ethyl 2-methylprop-2-enoate

ChemBase ID: 143273
Molecular Formular: C12H23NO2
Molecular Mass: 213.31652
Monoisotopic Mass: 213.17287898
SMILES and InChIs

SMILES:
CC(C)N(CCOC(=O)C(=C)C)C(C)C
Canonical SMILES:
CC(N(C(C)C)CCOC(=O)C(=C)C)C
InChI:
InChI=1S/C12H23NO2/c1-9(2)12(14)15-8-7-13(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3
InChIKey:
SVYHMICYJHWXIN-UHFFFAOYSA-N

Cite this record

CBID:143273 http://www.chembase.cn/molecule-143273.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[bis(propan-2-yl)amino]ethyl 2-methylprop-2-enoate
IUPAC Traditional name
2-(diisopropylamino)ethyl 2-methylprop-2-enoate
Synonyms
DPA
DPAEMA
2-(Diisopropylamino)ethyl methacrylate
2-(二异丙基氨基)甲基丙烯酸乙酯
CAS Number
16715-83-6
EC Number
240-772-8
MDL Number
MFCD00072647
PubChem SID
162237494
PubChem CID
28003

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
730971 external link Add to cart Please log in.
Data Source Data ID
PubChem 28003 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5151142  LogD (pH = 7.4) 0.7603254 
Log P 2.8731356  Molar Refractivity 62.7715 cm3
Polarizability 24.882395 Å3 Polar Surface Area 29.54 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
Flash Point
208.4 °F expand Show data source
98 °C expand Show data source
Density
0.900 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.145 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
37/38-41-43 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H317-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Contains
~100 ppm monomethyl ether hydroquinone as inhibitor expand Show data source
Empirical Formula (Hill Notation)
C12H23NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 730971 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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