3-(Alanylamino)-1,5-cyclohexadiene-1-carboxylic acid
[CAS# 741203-05-4]

Identification

• Name: 3-(Alanylamino)-1,5-cyclohexadiene-1-carboxylic acid
• Synonyms: 1,5-CYCLOHEXADIENE-1-CARBOXYLICACID, 3-[(2-AMINO-1-OXOPROPYL)AMINO]-; 3-(2-aminopropanamido)cyclohexa-1,5-dienecarboxylic acid
• Molecular Formula: C₁₀H₁₄N₂O₃
• Molecular Weight: 210.23
• CAS Registry Number: 741203-05-4
• SMILES: O=C(O)C1=C\C(NC(=O)C(C)N)C\C=C1
• InChI: 1S/C10H14N2O3/c1-6(11)9(13)12-8-4-2-3-7(5-8)10(14)15/h2-3,5-6,8H,4,11H2,1H3,(H,12,13)(H,14,15)
• InChIKey: YMLFQJCPNIDMCM-UHFFFAOYSA-N

Properties

• Density: 1.264g/cm³ (Cal.)
• Boiling point: 486.856°C at 760 mmHg (Cal.)
• Flash point: 248.242°C (Cal.)
• Refractive index: 1.574 (Cal.)