methyl 3-(dimethylamino)prop-2-enoate

• ChemBase ID: 237247
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: C(=C\N(C)C)/C(=O)OC
• Canonical SMILES: COC(=O)/C=C/N(C)C
• InChI: InChI=1S/C6H11NO2/c1-7(2)5-4-6(8)9-3/h4-5H,1-3H3
• InChIKey: MVPDNJQLPITPIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(dimethylamino)prop-2-enoate
• IUPAC Traditional name: methyl 3-(dimethylamino)prop-2-enoate
• Synonyms: methyl 3-(dimethylamino)prop-2-enoate

Database IDs

• MDL Number: MFCD09751143
• PubChem SID: 164293157
• PubChem CID: 5369115

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.71222043
• LogD (pH = 7.4): 0.42333147
• Log P: 0.5002096
• Molar Refractivity: 35.765 cm^3
• Polarizability: 13.457127 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 43 - 45°C
• Hydrophobicity(logP): 0.97

Product Information

• Purity: 95%