3-(2-aminoethoxy)but-3-en-2-one

• ChemBase ID: 292978
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: CC(=O)C(=C)OCCN
• Canonical SMILES: CC(=O)C(=C)OCCN
• InChI: InChI=1S/C6H11NO2/c1-5(8)6(2)9-4-3-7/h2-4,7H2,1H3
• InChIKey: OLSQCCLZPAAZFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-aminoethoxy)but-3-en-2-one
• IUPAC Traditional name: 3-(2-aminoethoxy)but-3-en-2-one
• Synonyms: 2-Aminoethyl methacrylate

Database IDs

• CAS Number: 7659-36-1
• PubChem SID: 180678509
• PubChem CID: 71773921

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2938561
• LogD (pH = 7.4): -2.149934
• Log P: -0.34024128
• Molar Refractivity: 35.5109 cm^3
• Polarizability: 13.836842 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%