3-(dimethylamino)propyl prop-2-enoate

• ChemBase ID: 147827
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: CN(C)CCCOC(=O)C=C
• Canonical SMILES: C=CC(=O)OCCCN(C)C
• InChI: InChI=1S/C8H15NO2/c1-4-8(10)11-7-5-6-9(2)3/h4H,1,5-7H2,2-3H3
• InChIKey: UFQHFMGRRVQFNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(dimethylamino)propyl prop-2-enoate
• IUPAC Traditional name: 3-(dimethylamino)propyl prop-2-enoate
• Synonyms: 3-(Dimethylamino)propyl acrylate; 3-(二甲氨基)丙烯酸丙酯

Database IDs

• CAS Number: 18526-07-3
• EC Number: 242-402-0
• MDL Number: MFCD00216567
• PubChem SID: 162242010; 24866018
• PubChem CID: 87693

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.3801465
• LogD (pH = 7.4): -1.0543175
• Log P: 0.9907789
• Molar Refractivity: 44.945 cm^3
• Polarizability: 17.514141 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 167 °C(lit.)
• Flash Point: 154.4 °F; 68 °C
• Density: 0.928 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.44(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 20/21/22-34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H332
• GHS Precautionary statements: P280-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 2735 8/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Linear Formula: H2C=CHCO2(CH2)3N(CH3)2

DETAILS

Sigma Aldrich - 415650

Packaging
25 mL in glass bottle