(E)-but-2-enedioic acid,1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(pentoxymethyl)phenyl]ethanone

Modify Date: 2025-09-25 19:29:16

(E)-but-2-enedioic acid,1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(pentoxymethyl)phenyl]ethanone structure	Common Name	(E)-but-2-enedioic acid,1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(pentoxymethyl)phenyl]ethanone
	CAS Number	104450-44-4	Molecular Weight	847.08600
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₄₆H₇₄N₂O₁₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	(E)-but-2-enedioic acid,1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-(pentoxymethyl)phenyl]ethanone
Synonym	More Synonyms

Molecular Formula	C₄₆H₇₄N₂O₁₂
Molecular Weight	847.08600
Exact Mass	846.52400
PSA	210.18000
LogP	7.94120
InChIKey	SGHBECDXCPXHNH-WXXKFALUSA-N
SMILES	CCCCCOCc1cc(C(C)=O)ccc1OCC(O)CNC(C)(C)C.CCCCCOCc1cc(C(C)=O)ccc1OCC(O)CNC(C)(C)C.O=C(O)C=CC(=O)O

4'-(3-(tert-Butylamino)-2-hydroxypropoxy)-3'-((pentyloxy)methyl)acetophenone fumarate (2:1)

Acetophenone,4'-(3-(tert-butylamino)-2-hydroxypropoxy)-3'-((pentyloxy)methyl)-,fumarate (2:1)

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