[(1S,2S,5R,6S)-6-(Methyl-(3-Phenylpropyl)Amino)-4,8-Dioxabicyclo[3.3.0 ]Oct-2-Yl] Nitrate Hydrochloride
[CAS# 81786-39-2]

Identification

• Name: [(1S,2S,5R,6S)-6-(Methyl-(3-Phenylpropyl)Amino)-4,8-Dioxabicyclo[3.3.0 ]Oct-2-Yl] Nitrate Hydrochloride
• Synonyms: Nitric Acid [(3S,3Ar,6S,6As)-3-(Methyl-(3-Phenylpropyl)Amino)-2,3,3A,5,6,6A-Hexahydrofuro[4,5-B]Furan-6-Yl] Ester Hydrochloride; 5-(N-Methyl-N-(3-Phenylpropyl)-Amino)-5-Desoxy-1,4:3,6-Dianhydro-L-Idit-2-Nitrat Hcl [German]; L-Iditol, 1,4:3,6-Dianhydro-2-Deoxy-2-(Methyl(3-Phenylpropyl)Amino)-, 5-Nitrate, Monohydrochloride
• Molecular Formula: C₁₆H₂₃ClN₂O₅
• Molecular Weight: 358.82
• CAS Registry Number: 81786-39-2
• SMILES: [C@H]12OC[C@H](O[N+]([O-])=O)[C@H]1OC[C@@H]2N(CCCC3=CC=CC=C3)C.[H+].[Cl-]
• InChI: 1S/C16H22N2O5.ClH/c1-17(9-5-8-12-6-3-2-4-7-12)13-10-21-16-14(23-18(19)20)11-22-15(13)16;/h2-4,6-7,13-16H,5,8-11H2,1H3;1H/t13-,14-,15+,16+;/m0./s1
• InChIKey: UMOQWJBMJXPHNT-BTXUNPJVSA-N

Properties

• Boiling point: 455.2°C at 760 mmHg (Cal.)
• Flash point: 229.1°C (Cal.)