7402-41-7
4-(4,4-DIMETHYL-4-PHENYLTHIOBUTYRYL)MORPHOLINE
Name4-(4,4-DIMETHYL-4-PHENYLTHIOBUTYRYL)MORPHOLINE
1Identification
【Name】
4-(4,4-DIMETHYL-4-PHENYLTHIOBUTYRYL)MORPHOLINE
【CAS】
【MDL】
MFCD00089451
【English Synonyms】
【Formula】
C16 H23 N O S
【MolWeight】
277.43
【Inchi】
InChI=1S/C16H23NOS/c1-16(2,14-6-4-3-5-7-14)9-8-15(19)17-10-12-18-13-11-17/h3-7H,8-13H2,1-2H3
【InChIKey】
InChIKey=WKIJBNARSPBPLP-UHFFFAOYSA-N
【SMILES】
CC(C)(CCC(=S)N1CCOCC1)c2ccccc2
【MOL File】
4-(4,4-DIMETHYL-4-PH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4,4-DIMETHYL-4-PHENYLTHIOBUTYRYL)MORPHOLINE.cml