Methyl (3E)-2,5-diamino-2-ethynyl-3-pentenoate
[CAS# 779273-69-7]

Identification

• Name: Methyl (3E)-2,5-diamino-2-ethynyl-3-pentenoate
• Synonyms: (R,E)-methyl 2,5-diamino-2-ethynylpent-3-enoate
• Molecular Formula: C₈H₁₂N₂O₂
• Molecular Weight: 168.19
• CAS Registry Number: 779273-69-7
• SMILES: COC(=O)C(/C=C/CN)(C#C)N
• InChI: 1S/C8H12N2O2/c1-3-8(10,5-4-6-9)7(11)12-2/h1,4-5H,6,9-10H2,2H3/b5-4+
• InChIKey: RXCBJOXCIFKNNC-SNAWJCMRSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 276.38°C at 760 mmHg (Cal.)
• Flash point: 123.41°C (Cal.)
• Refractive index: 1.528 (Cal.)