Cas no 61947-42-0 (Benzonitrile, 3,3'-[1,4-butanediylbis(oxy)]bis-)
![Benzonitrile, 3,3'-[1,4-butanediylbis(oxy)]bis- structure](https://ossimg.kuujia.com/scimg/62000/61947-42-0x500.png)
61947-42-0 structure
Product Name:Benzonitrile, 3,3'-[1,4-butanediylbis(oxy)]bis-
CAS No:61947-42-0
MF:C18H16N2O2
MW:292.331844329834
CID:462650
PubChem ID:14645144
Update Time:2025-04-19
Benzonitrile, 3,3'-[1,4-butanediylbis(oxy)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3,3'-[1,4-butanediylbis(oxy)]bis-
- 3-[4-(3-cyanophenoxy)butoxy]benzonitrile
- 61947-42-0
- DTXSID20562559
- 3,3'-[Butane-1,4-diylbis(oxy)]dibenzonitrile
-
- Inchi： 1S/C18H16N2O2/c19-13-15-5-3-7-17(11-15)21-9-1-2-10-22-18-8-4-6-16(12-18)14-20/h3-8,11-12H,1-2,9-10H2
- InChI Key： NHHXNNGDAZHBCA-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C#N)C=1)CCCCOC1C=CC=C(C#N)C=1
Computed Properties
- Exact Mass: 292.12128
- Monoisotopic Mass: 292.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 379
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 66.04
Benzonitrile, 3,3'-[1,4-butanediylbis(oxy)]bis- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
61947-42-0 (Benzonitrile, 3,3'-[1,4-butanediylbis(oxy)]bis-) Related Products
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- 5203-14-5(4-Butoxybenzonitrile)
- 81560-32-9(4-Butoxyphthalonitrile)
- 106943-83-3(4-Pentyloxyphthalonitrile)
- 60758-84-1(4-propoxybenzonitrile)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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