81786-46-1
1,4:3,6-DIANHYDRO-2-DEOXY-2-((3-PHENYLPROPYL)AMINO)-L-IDITOL 5-NITRATE MONOHYDROCHLORIDE
Name1,4:3,6-DIANHYDRO-2-DEOXY-2-((3-PHENYLPROPYL)AMINO)-L-IDITOL 5-NITRATE MONOHYDROCHLORIDE
FormulaC15 H20 N2 O5 . Cl H
1Identification
【Name】
1,4:3,6-DIANHYDRO-2-DEOXY-2-((3-PHENYLPROPYL)AMINO)-L-IDITOL 5-NITRATE MONOHYDROCHLORIDE
【CAS】
【MDL】
MFCD01753392
【English Synonyms】
【Formula】
C15 H20 N2 O5 . Cl H
【MolWeight】
344.793
【Inchi】
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】
InChIKey=GONIXKRMNJDMIN-FFIJQSHZSA-N
【SMILES】
c1ccc(cc1)CCCN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-].Cl
【MOL File】
1,4:3,6-DIANHYDRO-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4:3,6-DIANHYDRO-2-DEOXY-2-((3-PHENYLPROPYL)AMINO)-L-IDITOL 5-NITRATE MONOHYDROCHLORIDE.cml