[(3aR,8bS)-3,4,8B-Trimethyl-2,3alpha-Dihydro-1H-Pyrrolo[2,3-b]Indol-7-Yl] N-Heptylcarbamate
[CAS# 101246-68-8]

Identification

• Name: [(3aR,8bS)-3,4,8B-Trimethyl-2,3alpha-Dihydro-1H-Pyrrolo[2,3-b]Indol-7-Yl] N-Heptylcarbamate
• Synonyms: N-Heptylcarbamic Acid [(3Ar,8Bs)-3,4,8B-Trimethyl-2,3A-Dihydro-1H-Pyrrolo[2,3-B]Indol-7-Yl] Ester; (-)-Heptylphysostigmine; Brn 4883778
• Molecular Formula: C₂₁H₃₃N₃O₂
• Molecular Weight: 359.51
• CAS Registry Number: 101246-68-8
• SMILES: [C@@]12(C3=C(N(C)[C@H]1N(C)CC2)C=CC(=C3)OC(NCCCCCCC)=O)C
• InChI: 1S/C21H33N3O2/c1-5-6-7-8-9-13-22-20(25)26-16-10-11-18-17(15-16)21(2)12-14-23(3)19(21)24(18)4/h10-11,15,19H,5-9,12-14H2,1-4H3,(H,22,25)/t19-,21+/m1/s1
• InChIKey: RRGMXBQMCUKRLH-CTNGQTDRSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 470.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 238.5±28.7°C (Cal.)