52467-33-1
4'-(METHYLAMINO)METHYLSPIRO(5H-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1',3')DIOXOLANE) MALEATE
Name4'-(METHYLAMINO)METHYLSPIRO(5H-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1',3')DIOXOLANE) MALEATE
FormulaC19 H19 N O2 . C4 H4 O4
1Identification
【Name】
4'-(METHYLAMINO)METHYLSPIRO(5H-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1',3')DIOXOLANE) MALEATE
【CAS】
【MDL】
MFCD01750153
【English Synonyms】
【Formula】
C19 H19 N O2 . C4 H4 O4
【MolWeight】
409.436
【Inchi】
InChI=1S/C19H19NO2.C4H4O4/c1-20-12-16-13-21-19(22-16)17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19;5-3(6)1-2-4(7)8/h2-11,16,20H,12-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
【InChIKey】
InChIKey=CHACKLOZIYSBHC-BTJKTKAUSA-N
【SMILES】
CNCC1COC2(O1)c3ccccc3C=Cc4c2cccc4.C(=C\C(=O)O)\C(=O)O
【MOL File】
4'-(METHYLAMINO)METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4'-(METHYLAMINO)METHYLSPIRO(5H-DIBENZO(A,D)CYCLOHEPTENE-5,2'-(1',3')DIOXOLANE) MALEATE.cml