[1Β,5Β,(+)]-Tropane-2a-Yl 3,4,5-Trimethoxybenzoate
[CAS# 87395-54-8]

Identification

• Name: [1Β,5Β,(+)]-Tropane-2a-Yl 3,4,5-Trimethoxybenzoate
• Synonyms: 3,4,5-Trimethoxybenzoic Acid [(1R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-2-Yl] Ester; 1-Alpha-H,5-Alpha-H-Tropan-2-Alpha-Ol, 3,4,5-Trimethoxybenzoate (Ester), (+)-; Brn 5768515
• Molecular Formula: C₁₈H₂₅NO₅
• Molecular Weight: 335.40
• CAS Registry Number: 87395-54-8
• SMILES: [C@H]23C(OC(C1=CC(=C(C(=C1)OC)OC)OC)=O)CCC(CC2)N3C
• InChI: 1S/C18H25NO5/c1-19-12-5-7-13(19)14(8-6-12)24-18(20)11-9-15(21-2)17(23-4)16(10-11)22-3/h9-10,12-14H,5-8H2,1-4H3/t12?,13-,14?/m1/s1
• InChIKey: RCYQXSCEIUPTHM-ROKHWSDSSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 407.746°C at 760 mmHg (Cal.)
• Flash point: 200.398°C (Cal.)