155444-07-8
ETHANAMINE, 2-((6,11-DIHYDRO-6-METHYLDIBENZO(C,F)THIAZEPIN-11-YL)OXY)-N-METHYL-, 5,5-DIOXIDE(Z)-2-BUTENEDIOATE (1:1)
Name
ETHANAMINE, 2-((6,11-DIHYDRO-6-METHYLDIBENZO(C,F)THIAZEPIN-11-YL)OXY)-N-METHYL-, 5,5-DIOXIDE(Z)-2-BUTENEDIOATE (1:1)
Formula
C17 H20 N2 O3 S . C4 H4 O4
MolWeight
448.494
1Identification
【Name】
ETHANAMINE, 2-((6,11-DIHYDRO-6-METHYLDIBENZO(C,F)THIAZEPIN-11-YL)OXY)-N-METHYL-, 5,5-DIOXIDE(Z)-2-BUTENEDIOATE (1:1)
【CAS】
【MDL】
MFCD01752765
【English Synonyms】
【Formula】
C17 H20 N2 O3 S . C4 H4 O4
【MolWeight】
448.494
【Inchi】
InChI=1S/C17H20N2O3S.C4H4O4/c1-18-11-12-22-17-13-7-3-5-9-15(13)19(2)23(20,21)16-10-6-4-8-14(16)17;5-3(6)1-2-4(7)8/h3-10,17-18H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
【InChIKey】
InChIKey=HAKVMBUEJMNLIJ-BTJKTKAUSA-N
【SMILES】
CNCCOC1c2ccccc2N(S(=O)(=O)c3c1cccc3)C.C(=C\C(=O)O)\C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHANAMINE, 2-((6,11-DIHYDRO-6-METHYLDIBENZO(C,F)THIAZEPIN-11-YL)OXY)-N-METHYL-, 5,5-DIOXIDE(Z)-2-BUTENEDIOATE (1:1).cml
Quick Release
([5-(3-FLUOROPHENYL)-1,3,4-OXADIAZOL-2-YL]METHYL)(PROPYL)AMINE
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