Agropine
[CAS# 70699-77-3]

Identification

• Name: Agropine
• Synonyms: 3-[(3S,6R)-2-Oxo-6-[(1S,2R,3R)-1,2,3,4-Tetrahydroxybutyl]-3-Morpholinyl]Propanamide; 3-[(3S,6R)-2-Keto-6-[(1S,2R,3R)-1,2,3,4-Tetrahydroxybutyl]Morpholin-3-Yl]Propionamide; (1'-Deoxy-D-Mannitol-1'-Yl)-L-Glutamine,1',2'-Lactone
• Molecular Formula: C₁₁H₂₀N₂O₇
• Molecular Weight: 292.29
• CAS Registry Number: 70699-77-3
• SMILES: [C@@H]1(C(O[C@H](CN1)[C@H]([C@@H]([C@@H](CO)O)O)O)=O)CCC(=O)N
• InChI: 1S/C11H20N2O7/c12-8(16)2-1-5-11(19)20-7(3-13-5)10(18)9(17)6(15)4-14/h5-7,9-10,13-15,17-18H,1-4H2,(H2,12,16)/t5-,6+,7+,9+,10+/m0/s1
• InChIKey: HCWLJSDMOMMDRF-SZWOQXJISA-N

Properties

• Density: 1.431g/cm³ (Cal.)
• Boiling point: 760.414°C at 760 mmHg (Cal.)
• Flash point: 413.684°C (Cal.)