42808-07-1
DANSYL-DL-ASPARTIC ACID DI(CYCLOHEXYLAMMONIUM) SALT
NameDANSYL-DL-ASPARTIC ACID DI(CYCLOHEXYLAMMONIUM) SALT
FormulaC16 H18 N2 O6 S . 2 C6 H13 N
1Identification
【Name】
DANSYL-DL-ASPARTIC ACID DI(CYCLOHEXYLAMMONIUM) SALT
【CAS】
【MDL】
MFCD00625364
【English Synonyms】
【Formula】
C16 H18 N2 O6 S . 2 C6 H13 N
【MolWeight】
564.744
【Inchi】
InChI=1S/C16H18N2O6S.2C6H13N/c1-18(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)17-12(16(21)22)9-15(19)20;2*7-6-4-2-1-3-5-6/h3-8,12,17H,9H2,1-2H3,(H,19,20)(H,21,22);2*6H,1-5,7H2
【InChIKey】
InChIKey=LANKQSXUDGQIRJ-UHFFFAOYSA-N
【SMILES】
CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CC(=O)O)C(=O)O.C1CCC(CC1)N.C1CCC(CC1)N
【MOL File】
DANSYL-DL-ASPARTIC A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DANSYL-DL-ASPARTIC ACID DI(CYCLOHEXYLAMMONIUM) SALT.cml