Cas no 808133-84-8 (Benzonitrile,2-methyl-6-(1-piperidinyl)-)
808133-84-8 structure
Product Name:Benzonitrile,2-methyl-6-(1-piperidinyl)-
CAS No:808133-84-8
MF:C13H16N2
MW:200.279542922974
CID:715065
PubChem ID:45096684
Update Time:2025-04-19
Benzonitrile,2-methyl-6-(1-piperidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,2-methyl-6-(1-piperidinyl)-
- Benzonitrile, 2-methyl-6-(1-piperidinyl)- (9CI)
- 808133-84-8
- SCHEMBL3852474
- 2-Methyl-6-(1-piperidinyl)benzonitrile
- VLOSMMYKJUSPOU-UHFFFAOYSA-N
- 2-Methyl-6-piperidin-1-ylbenzonitrile
-
- Inchi： 1S/C13H16N2/c1-11-6-5-7-13(12(11)10-14)15-8-3-2-4-9-15/h5-7H,2-4,8-9H2,1H3
- InChI Key： VLOSMMYKJUSPOU-UHFFFAOYSA-N
- SMILES： N1(C2C=CC=C(C)C=2C#N)CCCCC1
Computed Properties
- Exact Mass: 200.131
- Monoisotopic Mass: 200.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 247
- 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
- Topological Polar Surface Area: 27A^2
- XLogP3: 3
Benzonitrile,2-methyl-6-(1-piperidinyl)- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
808133-84-8 (Benzonitrile,2-methyl-6-(1-piperidinyl)-) Related Products
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