40536-33-2
PIPERAZINEACETAMIDE, N,N-DIMETHYL-4-(SPIRO(5H)-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1,3)DIOXOLAN-4'-YLMETHYL)-,(Z)-2-BUTENEDIOATE (1:2)
NamePIPERAZINEACETAMIDE, N,N-DIMETHYL-4-(SPIRO(5H)-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1,3)DIOXOLAN-4'-YLMETHYL)-,(Z)-2-BUTENEDIOATE (1:2)
FormulaC26 H31 N3 O3 . 2 C4 H4 O4
1Identification
【Name】
PIPERAZINEACETAMIDE, N,N-DIMETHYL-4-(SPIRO(5H)-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1,3)DIOXOLAN-4'-YLMETHYL)-,(Z)-2-BUTENEDIOATE (1:2)
【CAS】
【MDL】
MFCD01704243
【English Synonyms】
【Formula】
C26 H31 N3 O3 . 2 C4 H4 O4
【MolWeight】
665.692
【Inchi】
InChI=1S/C26H31N3O3.2C4H4O4/c1-27(2)25(30)18-29-15-13-28(14-16-29)17-22-19-31-26(32-22)23-9-5-3-7-20(23)11-12-21-8-4-6-10-24(21)26;2*5-3(6)1-2-4(7)8/h3-12,22H,13-19H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
【InChIKey】
InChIKey=GVFPARXOMVHQCU-SPIKMXEPSA-N
【SMILES】
CN(C)C(=O)CN1CCN(CC1)CC2COC3(O2)c4ccccc4C=Cc5c3cccc5.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
【MOL File】
PIPERAZINEACETAMIDE,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PIPERAZINEACETAMIDE, N,N-DIMETHYL-4-(SPIRO(5H)-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1,3)DIOXOLAN-4'-YLMETHYL)-,(Z)-2-BUTENEDIOATE (1:2).cml