2-(dimethylamino)ethyl prop-2-enoate

• ChemBase ID: 146324
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: CN(C)CCOC(=O)C=C
• Canonical SMILES: C=CC(=O)OCCN(C)C
• InChI: InChI=1S/C7H13NO2/c1-4-7(9)10-6-5-8(2)3/h4H,1,5-6H2,2-3H3
• InChIKey: DPBJAVGHACCNRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)ethyl prop-2-enoate
• IUPAC Traditional name: 2-(dimethylamino)ethyl prop-2-enoate
• Synonyms: Acrylic acid 2-(dimethylamino)ethyl ester; DMAEA; 2-(Dimethylamino)ethyl acrylate; 2-(二甲基氨)乙基丙烯酸酯; 2-(二甲氨基)丙烯酸乙酯

Database IDs

• CAS Number: 2439-35-2
• EC Number: 219-460-0
• MDL Number: MFCD00038233
• Beilstein Number: 1099119
• PubChem SID: 162240522; 24859925
• PubChem CID: 17111

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.886653
• LogD (pH = 7.4): -0.12514815
• Log P: 0.9308192
• Molar Refractivity: 40.0796 cm^3
• Polarizability: 15.67463 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -60°C
• Boiling Point: 64 °C/12 mmHg(lit.); 64°C/12mm
• Flash Point: 138.2 °F; 59 °C; 62°C(144°F)
• Density: 0.943; 0.943 g/mL at 25 °C(lit.)
• Refractive Index: 1.4380; n20/D 1.438(lit.)
• Vapor Pressure: 0.35 psi ( 20 °C)

Safety Information

• RTECS: AS8578000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 3302; UN3302
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 21/22-26-34-43; 24/25-26-34
• Safety Statements: 26-28-36/37/39-45; 4-9-20-23-26-28-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H302-H311-H314-H330; H311-H330-H302-H317-H314-H318-H227
• GHS Precautionary statements: P210-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A; P260-P280-P284-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 3302 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%; 98%, stab. with ca 0.1% 4-methoxyphenol
• Contains: <2,000 ppm MEHQ as inhibitor
• Linear Formula: H2C=CHCO2CH2CH2N(CH3)2

DETAILS

Sigma Aldrich - 330957

Packaging
100, 500 mL in glass bottle