Methyl 2-Amino-4-Heptynoate
[CAS# 441777-48-6]

Identification

• Name: Methyl 2-Amino-4-Heptynoate
• Synonyms: InChI=1/C8H13NO2/c1-3-4-5-6-7(9)8(10)11-2/h7H,3,6,9H2,1-2H3; Methyl 2-aminohept-4-ynoate
• Molecular Formula: C₈H₁₃NO₂
• Molecular Weight: 155.19
• CAS Registry Number: 441777-48-6
• SMILES: CCC#CCC(C(=O)OC)N
• InChI: 1S/C8H13NO2/c1-3-4-5-6-7(9)8(10)11-2/h7H,3,6,9H2,1-2H3
• InChIKey: ITQNFRZMMSCCAR-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 229.9±30.0°C at 760 mmHg (Cal.)
• Flash point: 96.8±22.1°C (Cal.)
• Refractive index: 1.472 (Cal.)

References

• (1): David W. Knight, Adele L. Redfern and Jeremy Gilmore. An approach to 2,3-dihydropyrroles and ß-iodopyrroles based on 5-endo-dig cyclisations, J. Chem. Soc., Perkin Trans. 1, 2002, 0, 622.