52467-35-3
4'-(ETHYLAMINO)METHYLSPIRO(5H-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1',3')DIOXOLANE) MALEATE
Name4'-(ETHYLAMINO)METHYLSPIRO(5H-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1',3')DIOXOLANE) MALEATE
FormulaC20 H21 N O2 . C4 H4 O4
1Identification
【Name】
4'-(ETHYLAMINO)METHYLSPIRO(5H-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1',3')DIOXOLANE) MALEATE
【CAS】
【MDL】
MFCD01750151
【English Synonyms】
【Formula】
C20 H21 N O2 . C4 H4 O4
【MolWeight】
423.462
【Inchi】
InChI=1S/C20H21NO2.C4H4O4/c1-2-21-13-17-14-22-20(23-17)18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20;5-3(6)1-2-4(7)8/h3-12,17,21H,2,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
【InChIKey】
InChIKey=YLRCAHBRRAUPEB-BTJKTKAUSA-N
【SMILES】
CCNCC1COC2(O1)c3ccccc3C=Cc4c2cccc4.C(=C\C(=O)O)\C(=O)O
【MOL File】
4'-(ETHYLAMINO)METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4'-(ETHYLAMINO)METHYLSPIRO(5H-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1',3')DIOXOLANE) MALEATE.cml