Cas no 647839-64-3 (Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclobutylmethyl)-)
- structure](https://ossimg.kuujia.com/scimg/648000/647839-64-3x500.png)
647839-64-3 structure
Product Name:Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclobutylmethyl)-
CAS No:647839-64-3
MF:C14H14ClN3
MW:259.734061717987
CID:416870
PubChem ID:71378746
Update Time:2025-04-19
Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclobutylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclobutylmethyl)-
- 2-[(6-chloropyridin-3-yl)methyl]-2-(cyclobutylmethyl)propanedinitrile
- 647839-64-3
- [(6-Chloropyridin-3-yl)methyl](cyclobutylmethyl)propanedinitrile
- DTXSID80801350
-
- Inchi： 1S/C14H14ClN3/c15-13-5-4-12(8-18-13)7-14(9-16,10-17)6-11-2-1-3-11/h4-5,8,11H,1-3,6-7H2
- InChI Key： UCEGWDUYOFRSBJ-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=N1)CC(C#N)(C#N)CC1CCC1
Computed Properties
- Exact Mass: 259.08782
- Monoisotopic Mass: 259.0876252g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 368
- 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: 3.6
- Topological Polar Surface Area: 60.5?2
Experimental Properties
- PSA: 60.47
Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclobutylmethyl)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
647839-64-3 (Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclobutylmethyl)-) Related Products
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