[(1R,7S,8R)-7-(3-Methylbutanoyloxymethyl)-2,3,5,6,7,8-Hexahydro-1H-Pyrrolizin-1-Yl] 3-Methylbutanoate
[CAS# 39818-21-8]

Identification

• Name: [(1R,7S,8R)-7-(3-Methylbutanoyloxymethyl)-2,3,5,6,7,8-Hexahydro-1H-Pyrrolizin-1-Yl] 3-Methylbutanoate
• Synonyms: 3-Methylbutanoic Acid [(1R,7S,8R)-7-[(3-Methyl-1-Oxobutoxy)Methyl]-2,3,5,6,7,8-Hexahydro-1H-Pyrrolizin-1-Yl] Ester; 3-Methylbutyric Acid [(1R,7S,8R)-7-(Isovaleryloxymethyl)Pyrrolizidin-1-Yl] Ester; Butanoic Acid, 3-Methyl-, Hexahydro-7-((3-Methyl-1-Oxobutoxy)Methyl)-1H-Pyrrolizin-1-Yl Ester, (1R-(1Alpha,7Alpha,7Abeta))-
• Molecular Formula: C₁₈H₃₁NO₄
• Molecular Weight: 325.45
• CAS Registry Number: 39818-21-8
• SMILES: [C@H]12N(CC[C@H]1OC(=O)CC(C)C)CC[C@@H]2COC(=O)CC(C)C
• InChI: 1S/C18H31NO4/c1-12(2)9-16(20)22-11-14-5-7-19-8-6-15(18(14)19)23-17(21)10-13(3)4/h12-15,18H,5-11H2,1-4H3/t14-,15-,18-/m1/s1
• InChIKey: QWVIUEDBSBMREI-IIDMSEBBSA-N

Properties

• Density: 1.074g/cm³ (Cal.)
• Boiling point: 388.484°C at 760 mmHg (Cal.)
• Flash point: 188.749°C (Cal.)