71455-66-8
N-(N-(P-CHLOROBENZOYL)-4-(2,6-DIMETHYLANILINO)BUTYRYL)-4-(2,6-DIMETHYL ANILINO)BUTYRIC ACID
NameN-(N-(P-CHLOROBENZOYL)-4-(2,6-DIMETHYLANILINO)BUTYRYL)-4-(2,6-DIMETHYL ANILINO)BUTYRIC ACID
1Identification
【Name】
N-(N-(P-CHLOROBENZOYL)-4-(2,6-DIMETHYLANILINO)BUTYRYL)-4-(2,6-DIMETHYL ANILINO)BUTYRIC ACID
【CAS】
【MDL】
MFCD01751612
【English Synonyms】
【Formula】
C31 H35 Cl N2 O4
【MolWeight】
535.081
【Inchi】
InChI=1S/C31H35ClN2O4/c1-21-9-5-10-22(2)29(21)33(19-8-14-28(36)37)27(35)13-7-20-34(30-23(3)11-6-12-24(30)4)31(38)25-15-17-26(32)18-16-25/h5-6,9-12,15-18H,7-8,13-14,19-20H2,1-4H3,(H,36,37)
【InChIKey】
InChIKey=WOMFKQGDPWCASM-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1N(CCCC(=O)O)C(=O)CCCN(c2c(cccc2C)C)C(=O)c3ccc(cc3)Cl)C
【MOL File】
N-(N-(P-CHLOROBENZOY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(N-(P-CHLOROBENZOYL)-4-(2,6-DIMETHYLANILINO)BUTYRYL)-4-(2,6-DIMETHYL ANILINO)BUTYRIC ACID.cml