1,4:3,6-Dianhydro-2-Deoxy-2-((3-Phenylpropyl)Amino)-L-Iditol 5-Nitrate Monohydrochloride
[CAS# 81786-46-1]

Identification

• Name: 1,4:3,6-Dianhydro-2-Deoxy-2-((3-Phenylpropyl)Amino)-L-Iditol 5-Nitrate Monohydrochloride
• Synonyms: Nitric Acid [(3S,3Ar,6S,6As)-3-(3-Phenylpropylamino)-2,3,3A,5,6,6A-Hexahydrofuro[4,5-B]Furan-6-Yl] Ester Hydrochloride; 1,4:3,6-Dianhydro-2-Deoxy-2-((3-Phenylpropyl)Amino)-L-Iditol 5-Nitrate Monohydrochloride; 5-(3-Phenylpropylamino)-5-Desoxy-1,4:3,6-Dianhydro-L-Idit-2-Nitrat-Hydrochlorid [German]
• Molecular Formula: C₁₅H₂₁ClN₂O₅
• Molecular Weight: 344.79
• CAS Registry Number: 81786-46-1
• SMILES: [C@H]23OC[C@H](NCCCC1=CC=CC=C1)[C@H]2OC[C@@H]3O[N+]([O-])=O.[H+].[Cl-]
• InChI: 1S/C15H20N2O5.ClH/c18-17(19)22-13-10-21-14-12(9-20-15(13)14)16-8-4-7-11-5-2-1-3-6-11;/h1-3,5-6,12-16H,4,7-10H2;1H/t12-,13-,14+,15+;/m0./s1
• InChIKey: GONIXKRMNJDMIN-FFIJQSHZSA-N

Properties

• Boiling point: 460.6°C at 760 mmHg (Cal.)
• Flash point: 232.4°C (Cal.)