L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((phenylmethyl)amino)-, 5-nitrate, monohydrochloride

Base Information

• Chemical Name: L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((phenylmethyl)amino)-, 5-nitrate, monohydrochloride
• CAS No.: 81786-43-8
• Molecular Formula: C13H17ClN2O5
• Molecular Weight: 316.7375
• DSSTox Substance ID: DTXSID30231365

Synonyms:1,4:3,6-Dianhydro-2-deoxy-2-((phenylmethyl)amino)-L-iditol 5-nitrate monohydrochloride;L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((phenylmethyl)amino)-, 5-nitrate, monohydrochloride;5-Benzylamino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German];81786-43-8;5-Benzylamino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid;C13H16N2O5.ClH;DTXSID30231365;C13-H16-N2-O5.Cl-H;LS-77642

Chemical Property of L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-((phenylmethyl)amino)-, 5-nitrate, monohydrochloride

Chemical Property:

• Vapor Pressure: 2.02E-07mmHg at 25°C
• Boiling Point: 424.7°C at 760 mmHg
• Flash Point: 210.7°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 316.0825993
• Heavy Atom Count: 21
• Complexity: 342

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2C(O1)C(CO2)O[N+](=O)[O-])NCC3=CC=CC=C3.Cl
• Isomeric SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])NCC3=CC=CC=C3.Cl

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