(3E)-2,5-Diamino-2-ethynyl-3-hexenoic acid
[CAS# 751429-41-1]

Identification

• Name: (3E)-2,5-Diamino-2-ethynyl-3-hexenoic acid
• Synonyms: (2R,E)-2,5-diamino-2-ethynylhex-3-enoic acid
• Molecular Formula: C₈H₁₂N₂O₂
• Molecular Weight: 168.19
• CAS Registry Number: 751429-41-1
• SMILES: CC(/C=C/C(C#C)(C(=O)O)N)N
• InChI: 1S/C8H12N2O2/c1-3-8(10,7(11)12)5-4-6(2)9/h1,4-6H,9-10H2,2H3,(H,11,12)/b5-4+
• InChIKey: BPIJAOCQYCDQJD-SNAWJCMRSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 361.178°C at 760 mmHg (Cal.)
• Flash point: 172.234°C (Cal.)
• Refractive index: 1.563 (Cal.)