42808-05-9
DANSYL-DL-VALINE CYCLOHEXYLAMMONIUM SALT
NameDANSYL-DL-VALINE CYCLOHEXYLAMMONIUM SALT
FormulaC17 H22 N2 O4 S . C6 H13 N
1Identification
【Name】
DANSYL-DL-VALINE CYCLOHEXYLAMMONIUM SALT
【CAS】
【MDL】
MFCD00038934
【English Synonyms】
【Formula】
C17 H22 N2 O4 S . C6 H13 N
【MolWeight】
449.612
【Inchi】
InChI=1S/C17H22N2O4S.C6H13N/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4;7-6-4-2-1-3-5-6/h5-11,16,18H,1-4H3,(H,20,21);6H,1-5,7H2
【InChIKey】
InChIKey=XAAKQPYBZYQKNA-UHFFFAOYSA-N
【SMILES】
CC(C)C(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C.C1CCC(CC1)N
【MOL File】
DANSYL-DL-VALINE CYC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DANSYL-DL-VALINE CYCLOHEXYLAMMONIUM SALT.cml