ethyl 3-(dimethylamino)prop-2-enoate

• ChemBase ID: 77881
• Molecular Formular: C7H13NO2
• Molecular Mass: 143.18362
• Monoisotopic Mass: 143.09462866
• SMILES: N(/C=C/C(=O)OCC)(C)C
• Canonical SMILES: CCOC(=O)/C=C/N(C)C
• InChI: InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3
• InChIKey: MVUMJYQUKKUOHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(dimethylamino)prop-2-enoate; ethyl (2E)-3-(dimethylamino)prop-2-enoate
• IUPAC Traditional name: ethyl 3-(dimethylamino)prop-2-enoate; ethyl (2E)-3-(dimethylamino)prop-2-enoate
• Synonyms: ethyl 3-(dimethylamino)prop-2-enoate; Ethyl (2E)-3-(dimethylamino)prop-2-enoate; Ethyl 3-(dimethylamino)acrylate; (E)-Ethyl 3-(dimethylamino)acrylate; 3-(Dimethylamino)acrylic acid ethyl ester; Ethyl 3-(dimethylamino)propenoate; Ethyl 3-(dimethylamino)acrylate; Ethyl 3-(N,N-dimethylamino)acrylate; 3-(二甲基氨基)丙烯酸乙酯

Database IDs

• CAS Number: 924-99-21117-37-9; 1117-37-9; 924-99-2
• EC Number: 402-650-4
• MDL Number: MFCD00144269
• PubChem SID: 162042724
• PubChem CID: 5369162

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8570169
• LogD (pH = 7.4): 0.8570176
• Log P: 0.8570176
• Molar Refractivity: 40.5136 cm^3
• Polarizability: 15.291478 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 17-18°C
• Boiling Point: 118-121°C/10mm
• Refractive Index: 1.5120
• Hydrophobicity(logP): 1.499

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 43
• Safety Statements: 24-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H317
• GHS Precautionary statements: P261-P280-P302+P352-P321-P363-P501A

Product Information

• Purity: 95%; 95+%; 97%; 98%; 99%