Cas no 1010073-31-0 (2-methyl-4-(1-piperazinyl)-Benzonitrile)
1010073-31-0 structure
Product Name:2-methyl-4-(1-piperazinyl)-Benzonitrile
CAS No:1010073-31-0
MF:C12H15N3
MW:201.267602205276
CID:1096205
PubChem ID:79018757
Update Time:2025-04-20
2-methyl-4-(1-piperazinyl)-Benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-4-(1-piperazinyl)-Benzonitrile
- 1010073-31-0
- AKOS017554419
- GS1636
- DTXSID401282087
- 2-Methyl-4-(piperazin-1-yl)benzonitrile
- 2-Methyl-4-(1-piperazinyl)benzonitrile
- SCHEMBL24990170
-
- Inchi： 1S/C12H15N3/c1-10-8-12(3-2-11(10)9-13)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
- InChI Key： KBRLJMQORLXSIU-UHFFFAOYSA-N
- SMILES： N1(C2C=CC(C#N)=C(C)C=2)CCNCC1
Computed Properties
- Exact Mass: 201.126597491g/mol
- Monoisotopic Mass: 201.126597491g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 249
- 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: 1.5
- Topological Polar Surface Area: 39.1?2
2-methyl-4-(1-piperazinyl)-Benzonitrile Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
1010073-31-0 (2-methyl-4-(1-piperazinyl)-Benzonitrile) Related Products
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