2-(diethylamino)ethyl prop-2-enoate

• ChemBase ID: 149073
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: CCN(CC)CCOC(=O)C=C
• Canonical SMILES: CCN(CCOC(=O)C=C)CC
• InChI: InChI=1S/C9H17NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4H,1,5-8H2,2-3H3
• InChIKey: QHVBLSNVXDSMEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)ethyl prop-2-enoate
• IUPAC Traditional name: 2-(diethylamino)ethyl acrylate
• Synonyms: 2-(Diethylamino)ethyl acrylate; 2-(二乙氨基)丙烯酸乙酯

Database IDs

• CAS Number: 2426-54-2
• EC Number: 219-378-5
• MDL Number: MFCD00042882
• PubChem SID: 162243241; 24865611
• PubChem CID: 17050

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5357087
• LogD (pH = 7.4): 0.076070316
• Log P: 1.6444352
• Molar Refractivity: 49.5768 cm^3
• Polarizability: 19.354933 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 199 °C(lit.)
• Flash Point: 163.4 °F; 73 °C
• Density: 0.922 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.443(lit.)
• Vapor Pressure: 0.77 psi ( 20 °C)

Safety Information

• RTECS: AS8225000
• European Hazard Symbols: Toxic (T)
• UN Number: 2927
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 22-24-34-43
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H310-H314-H317
• GHS Precautionary statements: P280-P302 + P350-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2927 6.1/PG 2

Product Information

• Purity: 95%
• Contains: 25 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: CH2=CHCOOCH2CH2N(C2H5)2

DETAILS

Sigma Aldrich - 408972

Packaging
100 mL in glass bottle