3-Amino-N-[(E)-2-(3,4-Dihydroxyphenyl)Ethenyl]Propanamide
[CAS# 158018-58-7]

Identification

• Name: 3-Amino-N-[(E)-2-(3,4-Dihydroxyphenyl)Ethenyl]Propanamide
• Synonyms: 3-Amino-N-[(E)-2-(3,4-Dihydroxyphenyl)Vinyl]Propanamide; 3-Amino-N-[(E)-2-(3,4-Dihydroxyphenyl)Vinyl]Propionamide; 1,2-Dehydro-N-Beta-Alanyldopamine
• Molecular Formula: C₁₁H₁₄N₂O₃
• Molecular Weight: 222.24
• CAS Registry Number: 158018-58-7
• SMILES: C1=C(O)C(=CC=C1\C=C\NC(=O)CCN)O
• InChI: 1S/C11H14N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,4,6-7,14-15H,3,5,12H2,(H,13,16)/b6-4+
• InChIKey: CQXKYWLWCMCZHC-GQCTYLIASA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 532.73°C at 760 mmHg (Cal.)
• Flash point: 275.985°C (Cal.)