Cas no 194496-68-9 (4-(Azetidin-1-yl)-3,5-dimethylbenzonitrile)
194496-68-9 structure
Product Name:4-(Azetidin-1-yl)-3,5-dimethylbenzonitrile
CAS No:194496-68-9
MF:C12H14N2
MW:186.252962589264
CID:2788527
PubChem ID:71347056
Update Time:2025-04-21
4-(Azetidin-1-yl)-3,5-dimethylbenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- DTXSID80773008
- 4-(Azetidin-1-yl)-3,5-dimethylbenzonitrile
- 194496-68-9
-
- Inchi： 1S/C12H14N2/c1-9-6-11(8-13)7-10(2)12(9)14-4-3-5-14/h6-7H,3-5H2,1-2H3
- InChI Key： WGBOZNSJJNLGIW-UHFFFAOYSA-N
- SMILES： N1(C2C(C)=CC(C#N)=CC=2C)CCC1
Computed Properties
- Exact Mass: 186.115698455Da
- Monoisotopic Mass: 186.115698455Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 236
- 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: 2.6
- Topological Polar Surface Area: 27?2
4-(Azetidin-1-yl)-3,5-dimethylbenzonitrile Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
194496-68-9 (4-(Azetidin-1-yl)-3,5-dimethylbenzonitrile) Related Products
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