Cas no 17199-93-8 (2,4,6-Heptanetricarbonitrile)
2,4,6-Heptanetricarbonitrile structure
Product Name:2,4,6-Heptanetricarbonitrile
CAS No:17199-93-8
MF:C10H13N3
MW:175.230321645737
CID:96270
PubChem ID:58918439
Update Time:2025-04-18
2,4,6-Heptanetricarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Heptanetricarbonitrile
- 1-methylhexane-1,3,5-tricarbonitrile
- 17199-93-8
- Heptane-2,4,6-tricarbonitrile
- SCHEMBL306162
- DTXSID20730610
- 2,4,6-tricyano-n-heptane
-
- Inchi： 1S/C10H13N3/c1-8(5-11)3-10(7-13)4-9(2)6-12/h8-10H,3-4H2,1-2H3
- InChI Key： ZVRBCRRMIOLSAZ-UHFFFAOYSA-N
- SMILES： N#CC(CC(C#N)C)CC(C#N)C
Computed Properties
- Exact Mass: 175.11109
- Monoisotopic Mass: 175.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 268
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- PSA: 71.37
2,4,6-Heptanetricarbonitrile Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
17199-93-8 (2,4,6-Heptanetricarbonitrile) Related Products
- 766-05-2(Cyclohexanecarbonitrile)
- 4254-02-8(Cyclopentanecarbonitrile)
- 168280-46-4(1,3,5-Cyclohexanetricarbonitrile)
- 18936-17-9(2-Methylbutyronitrile)
- 1772-25-4(Hexane-1,3,6-tricarbonitrile)
- 32730-85-1(Cycloheptanecarbonitrile)
- 4426-11-3(Cyclobutanecarbonitrile)
- 55897-64-8(2-Isopropyl-2,3-dimethyl-butyronitrile)
- 13310-75-3(2-Propylvaleronitrile)
- 7391-58-4(2-butylpropanedinitrile)
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