Cas no 1433708-06-5 (1-(5-METHYLPYRIMIDIN-2-YL)CYCLOPROPANE-1-CARBONITRILE)
1433708-06-5 structure
Product Name:1-(5-METHYLPYRIMIDIN-2-YL)CYCLOPROPANE-1-CARBONITRILE
CAS No:1433708-06-5
MF:C9H9N3
MW:159.187861204147
CID:5706203
PubChem ID:89544226
Update Time:2023-10-17
1-(5-METHYLPYRIMIDIN-2-YL)CYCLOPROPANE-1-CARBONITRILE Chemical and Physical Properties
Names and Identifiers
-
- 1-(5-METHYLPYRIMIDIN-2-YL)CYCLOPROPANE-1-CARBONITRILE
- SCHEMBL14920059
- 1433708-06-5
- 1-(5-Methyl-2-pyrimidinyl)cyclopropanecarbonitrile
- DTXSID101229545
- 1-(5-methylpyrimidin-2-yl)cyclopropanecarbonitrile
- WBIILSGTKPMKLM-UHFFFAOYSA-N
-
- Inchi： 1S/C9H9N3/c1-7-4-11-8(12-5-7)9(6-10)2-3-9/h4-5H,2-3H2,1H3
- InChI Key： WBIILSGTKPMKLM-UHFFFAOYSA-N
- SMILES： N1C=C(C)C=NC=1C1(C#N)CC1
Computed Properties
- Exact Mass: 159.079647300g/mol
- Monoisotopic Mass: 159.079647300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 215
- 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: 0.6
- Topological Polar Surface Area: 49.6?2
Experimental Properties
- Density: 1.19±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Boiling Point: 311.3±25.0 °C(Predicted)
- pka: 2.39±0.42(Predicted)
1-(5-METHYLPYRIMIDIN-2-YL)CYCLOPROPANE-1-CARBONITRILE Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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