Cas no 104192-47-4 (1,6-Hexanedione,1,6-bis[4-(hexyloxy)phenyl]-, dioxime (9CI))
![1,6-Hexanedione,1,6-bis[4-(hexyloxy)phenyl]-, dioxime (9CI) structure](https://ossimg.kuujia.com/scimg/104500/104192-47-4x500.png)
104192-47-4 structure
Product Name:1,6-Hexanedione,1,6-bis[4-(hexyloxy)phenyl]-, dioxime (9CI)
CAS No:104192-47-4
MF:C30H44N2O4
MW:496.68136882782
CID:153766
PubChem ID:6372062
Update Time:2025-04-19
1,6-Hexanedione,1,6-bis[4-(hexyloxy)phenyl]-, dioxime (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Hexanedione,1,6-bis[4-(hexyloxy)phenyl]-, dioxime (9CI)
- (NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine
- BRN 5662210
- 1,6-Bis(4-(hexyloxy)phenyl)-1,6-hexanedione dioxime
- 1,6-Hexanedione, 1,6-bis(4-(hexyloxy)phenyl)-, dioxime
- 104192-47-4
-
- Inchi： 1S/C30H44N2O4/c1-3-5-7-11-23-35-27-19-15-25(16-20-27)29(31-33)13-9-10-14-30(32-34)26-17-21-28(22-18-26)36-24-12-8-6-4-2/h15-22,33-34H,3-14,23-24H2,1-2H3/b31-29-,32-30-
- InChI Key： ITWDOTQLTOQBMZ-SZDCHMHBSA-N
- SMILES： O(C1C=CC(=CC=1)/C(/CCCC/C(/C1C=CC(=CC=1)OCCCCCC)=N/O)=N\O)CCCCCC
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 496.33010789g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 36
- Rotatable Bond Count: 19
- Complexity: 542
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.7
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- PSA: 52.54
- LogP: 8.22200
1,6-Hexanedione,1,6-bis[4-(hexyloxy)phenyl]-, dioxime (9CI) Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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