7675-54-9
N-(2-NITROPHENYLSULFENYL)-L-HYDROXYPROLINE (DICYCLOHEXYLAMMONIUM) SALT
NameN-(2-NITROPHENYLSULFENYL)-L-HYDROXYPROLINE (DICYCLOHEXYLAMMONIUM) SALT
FormulaC12 H23 N . C11 H12 N2 O5 S
1Identification
【Name】
N-(2-NITROPHENYLSULFENYL)-L-HYDROXYPROLINE (DICYCLOHEXYLAMMONIUM) SALT
【CAS】
【MDL】
MFCD00038481
【English Synonyms】
【Formula】
C12 H23 N . C11 H12 N2 O5 S
【MolWeight】
465.612
【Inchi】
InChI=1S/C12H23N.C11H12N2O5S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;14-7-5-9(11(15)16)12(6-7)19-10-4-2-1-3-8(10)13(17)18/h11-13H,1-10H2;1-4,7,9,14H,5-6H2,(H,15,16)/t;7?,9-/m.0/s1
【InChIKey】
InChIKey=APVXEQLZSRIUHG-HZSUOFROSA-N
【SMILES】
c1ccc(c(c1)[N+](=O)[O-])SN2CC(C[C@H]2C(=O)O)O.C1CCC(CC1)NC2CCCCC2
【MOL File】
N-(2-NITROPHENYLSULF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-NITROPHENYLSULFENYL)-L-HYDROXYPROLINE (DICYCLOHEXYLAMMONIUM) SALT.cml