Cas no 55664-55-6 (3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxocyclohexyl]propanenitrile)
![3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxocyclohexyl]propanenitrile structure](https://ossimg.kuujia.com/scimg/56000/55664-55-6x500.png)
55664-55-6 structure
Product Name:3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxocyclohexyl]propanenitrile
CAS No:55664-55-6
MF:C19H24N4O
MW:324.420063972473
CID:944277
PubChem ID:352158
Update Time:2025-04-19
3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxocyclohexyl]propanenitrile Chemical and Physical Properties
Names and Identifiers
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- 3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxocyclohexyl]propanenitrile
- 1-Methyl-3.3.5.5-tetrakis-(2-cyan-aethyl)-cyclohexanon-(4)
- 3,3',3'',3'''-(5-Methyl-2-oxo-cyclohexan-1,1,3,3-tetrayl)-tetra-propionitril
- 3,3',3'',3'''-(5-methyl-2-oxo-cyclohexane-1,1,3,3-tetrayl)-tetra-propionitrile
- AC1L6ZU8
- NSC525201
- 3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxo-cyclohexyl]propanenitrile
- SCHEMBL11820916
- NSC-525201
- DTXSID00326191
- 55664-55-6
- DS-004705
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- Inchi： 1S/C19H24N4O/c1-16-14-18(6-2-10-20,7-3-11-21)17(24)19(15-16,8-4-12-22)9-5-13-23/h16H,2-9,14-15H2,1H3
- InChI Key： JCCISLHTBYTXRX-UHFFFAOYSA-N
- SMILES： O=C1C(CCC#N)(CCC#N)CC(C)CC1(CCC#N)CCC#N
Computed Properties
- Exact Mass: 324.19522
- Monoisotopic Mass: 324.19501140g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 561
- 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: 1.1
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 112.23
- LogP: 4.17332
3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxocyclohexyl]propanenitrile Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
55664-55-6 (3-[1,3,3-tris(2-cyanoethyl)-5-methyl-2-oxocyclohexyl]propanenitrile) Related Products
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