Cas no 80887-45-2 (Benzonitrile, 4-(2,5-dimethyl-1-pyrrolidinyl)-)
80887-45-2 structure
Product Name:Benzonitrile, 4-(2,5-dimethyl-1-pyrrolidinyl)-
CAS No:80887-45-2
MF:C13H16N2
MW:200.279542922974
CID:704859
PubChem ID:71421079
Update Time:2025-04-19
Benzonitrile, 4-(2,5-dimethyl-1-pyrrolidinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-(2,5-dimethyl-1-pyrrolidinyl)-
- 4-(2,5-dimethylpyrrolidin-1-yl)benzonitrile
- 80887-45-2
- DTXSID00840246
-
- Inchi： 1S/C13H16N2/c1-10-3-4-11(2)15(10)13-7-5-12(9-14)6-8-13/h5-8,10-11H,3-4H2,1-2H3
- InChI Key： ONIQLEIXQLBMMA-UHFFFAOYSA-N
- SMILES： N1(C2C=CC(C#N)=CC=2)C(C)CCC1C
Computed Properties
- Exact Mass: 200.131348519g/mol
- Monoisotopic Mass: 200.131348519g/mol
- 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 : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 27?2
Benzonitrile, 4-(2,5-dimethyl-1-pyrrolidinyl)- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
80887-45-2 (Benzonitrile, 4-(2,5-dimethyl-1-pyrrolidinyl)-) Related Products
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