7675-53-8
O-NPS-L-PROLINE DICYCLOHEXYLAMINE SALT
NameO-NPS-L-PROLINE DICYCLOHEXYLAMINE SALT
FormulaC12 H23 N . C11 H12 N2 O4 S
1Identification
【Name】
O-NPS-L-PROLINE DICYCLOHEXYLAMINE SALT
【CAS】
【MDL】
MFCD00038480
【English Synonyms】
【Formula】
C12 H23 N . C11 H12 N2 O4 S
【MolWeight】
449.612
【Inchi】
InChI=1S/C12H23N.C11H12N2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;14-11(15)9-5-3-7-12(9)18-10-6-2-1-4-8(10)13(16)17/h11-13H,1-10H2;1-2,4,6,9H,3,5,7H2,(H,14,15)/t;9-/m.0/s1
【InChIKey】
InChIKey=CRIOJTHVCCENRP-NPULLEENSA-N
【SMILES】
c1ccc(c(c1)[N+](=O)[O-])SN2CCC[C@H]2C(=O)O.C1CCC(CC1)NC2CCCCC2
【MOL File】
O-NPS-L-PROLINE DICY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
O-NPS-L-PROLINE DICYCLOHEXYLAMINE SALT.cml