2-(diethylamino)ethyl 2-methylprop-2-enoate

• ChemBase ID: 149334
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: CCN(CC)CCOC(=O)C(=C)C
• Canonical SMILES: CCN(CCOC(=O)C(=C)C)CC
• InChI: InChI=1S/C10H19NO2/c1-5-11(6-2)7-8-13-10(12)9(3)4/h3,5-8H2,1-2,4H3
• InChIKey: SJIXRGNQPBQWMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)ethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-(diethylamino)ethyl 2-methylprop-2-enoate
• Synonyms: 2-(Diethylamino)ethyl methacrylate; 2-(Diethylamino)ethyl methacrylate; 2-(二乙氨基)甲基丙烯酸乙酯

Database IDs

• CAS Number: 105-16-8
• EC Number: 203-275-7
• MDL Number: MFCD00038314
• PubChem SID: 24865612; 162243501
• PubChem CID: 61012

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.1401546
• LogD (pH = 7.4): 0.47162753
• Log P: 2.0399857
• Molar Refractivity: 53.9339 cm^3
• Polarizability: 21.196707 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80 °C/10 mmHg(lit.)
• Flash Point: 170.6 °F; 77 °C
• Density: 0.922 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.444(lit.)

Safety Information

• RTECS: OZ4150000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 20-36/38-43
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H332
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 99%
• Contains: 100 ppm phenothiazine as inhibitor
• Linear Formula: H2C=C(CH3)CO2CH2CH2N(C2H5)2

DETAILS

Sigma Aldrich - 408980

Packaging
1 L in poly bottle
250 mL in poly bottle