57849-69-1
N-MSOC-L-PROLINE (DICYCLOHEXYLAMMONIUM) SALT
NameN-MSOC-L-PROLINE (DICYCLOHEXYLAMMONIUM) SALT
FormulaC12 H23 N . C9 H15 N O6 S
1Identification
【Name】
N-MSOC-L-PROLINE (DICYCLOHEXYLAMMONIUM) SALT
【CAS】
【MDL】
MFCD00057241
【English Synonyms】
【Formula】
C12 H23 N . C9 H15 N O6 S
【MolWeight】
446.605
【Inchi】
InChI=1S/C12H23N.C9H15NO6S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-17(14,15)6-5-16-9(13)10-4-2-3-7(10)8(11)12/h11-13H,1-10H2;7H,2-6H2,1H3,(H,11,12)/t;7-/m.0/s1
【InChIKey】
InChIKey=GMGRLEUUELOHNN-ZLTKDMPESA-N
【SMILES】
CS(=O)(=O)CCOC(=O)N1CCC[C@H]1C(=O)O.C1CCC(CC1)NC2CCCCC2
【MOL File】
N-MSOC-L-PROLINE (DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-MSOC-L-PROLINE (DICYCLOHEXYLAMMONIUM) SALT.cml