7651-27-6
3-(1-HYDROXY-2-NAPHTHAMIDO)-4-(N-METHYL-N-OCTADECYLAMINO)BENZENESULFONIC ACID
Name3-(1-HYDROXY-2-NAPHTHAMIDO)-4-(N-METHYL-N-OCTADECYLAMINO)BENZENESULFONIC ACID
1Identification
【Name】
3-(1-HYDROXY-2-NAPHTHAMIDO)-4-(N-METHYL-N-OCTADECYLAMINO)BENZENESULFONIC ACID
【CAS】
【MDL】
MFCD00182776
【English Synonyms】
【Formula】
C36 H52 N2 O5 S
【MolWeight】
624.882
【Inchi】
InChI=1S/C36H52N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-38(2)34-26-24-30(44(41,42)43)28-33(34)37-36(40)32-25-23-29-21-18-19-22-31(29)35(32)39/h18-19,21-26,28,39H,3-17,20,27H2,1-2H3,(H,37,40)(H,41,42,43)
【InChIKey】
InChIKey=UGGBEBIJLHFSIP-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCCCCCCCCCCN(C)c1ccc(cc1NC(=O)c2ccc3ccccc3c2O)S(=O)(=O)O
【MOL File】
3-(1-HYDROXY-2-NAPHT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(1-HYDROXY-2-NAPHTHAMIDO)-4-(N-METHYL-N-OCTADECYLAMINO)BENZENESULFONIC ACID.cml