Cas no 1058161-78-6 (2-(2-methyl-1-piperazinyl)-3-Pyridinecarbonitrile)
1058161-78-6 structure
Product Name:2-(2-methyl-1-piperazinyl)-3-Pyridinecarbonitrile
CAS No:1058161-78-6
MF:C11H14N4
MW:202.255661487579
CID:1097683
Update Time:2024-07-26
2-(2-methyl-1-piperazinyl)-3-Pyridinecarbonitrile Chemical and Physical Properties
Names and Identifiers
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- 2-(2-methyl-1-piperazinyl)-3-Pyridinecarbonitrile
- 3-Pyridinecarbonitrile, 2-(2-methyl-1-piperazinyl)-
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- Inchi： 1S/C11H14N4/c1-9-8-13-5-6-15(9)11-10(7-12)3-2-4-14-11/h2-4,9,13H,5-6,8H2,1H3
- InChI Key： XSMPLBONDBFNBW-UHFFFAOYSA-N
- SMILES： C1(N2CCNCC2C)=NC=CC=C1C#N
Computed Properties
- Exact Mass: 202.122
- Monoisotopic Mass: 202.122
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 257
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52A^2
Experimental Properties
- Density: 1.18±0.1 g/cm3(Predicted)
- Boiling Point: 386.9±37.0 °C(Predicted)
- pka: 8.38±0.40(Predicted)
2-(2-methyl-1-piperazinyl)-3-Pyridinecarbonitrile Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
1058161-78-6 (2-(2-methyl-1-piperazinyl)-3-Pyridinecarbonitrile) Related Products
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