76487-65-5
(2-(4-[1,2-DIPHENYLBUT-1-EN-1-YL]PHENOXY)ETHYL)DIMETHYLAMINE 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID
Name
(2-(4-[1,2-DIPHENYLBUT-1-EN-1-YL]PHENOXY)ETHYL)DIMETHYLAMINE 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID
Formula
C26 H29 N O . C6 H8 O7
MolWeight
563.643
1Identification
【Name】
(2-(4-[1,2-DIPHENYLBUT-1-EN-1-YL]PHENOXY)ETHYL)DIMETHYLAMINE 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID
【CAS】
76487-65-5
;13002-65-8
【MDL】
MFCD01727016
【English Synonyms】
【Formula】
C26 H29 N O . C6 H8 O7
【MolWeight】
563.643
【Inchi】
InChI=1S/C26H29NO.C6H8O7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,4,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;
【InChIKey】
InChIKey=FQZYTYWMLGAPFJ-BTKVJIOYSA-N
【SMILES】
CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCN(C)C)/c3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-(4-[1,2-DIPHENYLBUT-1-EN-1-YL]PHENOXY)ETHYL)DIMETHYLAMINE 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID.cml
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