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: 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 16715-83-6
• EC Number: 240-772-8
• MDL Number: MFCD00072647
• PubChem SID: 162237494
• PubChem CID: 28003

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.5151142
• LogD (pH = 7.4): 0.7603254
• Log P: 2.8731356
• Molar Refractivity: 62.7715 cm^3
• Polarizability: 24.882395 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Flash Point: 208.4 °F; 98 °C
• Density: 0.900 g/mL at 25 °C
• Refractive Index: n20/D 1.145

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 37/38-41-43
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H317-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Contains: ~100 ppm monomethyl ether hydroquinone as inhibitor
• Empirical Formula (Hill Notation): C12H23NO2

DETAILS

Sigma Aldrich - 730971

Packaging
25, 100 g in glass bottle