Cas no 13012-33-4 (5-Pyrimidinecarbonitrile,2-(dimethylamino)-4,6-dimethyl-, N5-oxide)
13012-33-4 structure
Product Name:5-Pyrimidinecarbonitrile,2-(dimethylamino)-4,6-dimethyl-, N5-oxide
CAS No:13012-33-4
MF:C9H12N4O
MW:192.217781066895
CID:225924
PubChem ID:267446
Update Time:2025-04-19
5-Pyrimidinecarbonitrile,2-(dimethylamino)-4,6-dimethyl-, N5-oxide Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarbonitrile,2-(dimethylamino)-4,6-dimethyl-, N5-oxide
- 2-Dimethylamino-4,6-dimethyl-pyrimidin-5-nitril-oxid
- 2-dimethylamino-4,6-dimethyl-pyrimidine-5-carbonitrile N-oxide
- CpTiCl3
- Cyclopentadienyltrichlorotitanium
- Titanium, trichloro(eta5-2,4-cyclopentadien-1-yl)-
- Titanium, trichlorocyclopentadienyl- (7CI)
- trichlorotitanium(1+) cyclopenta-2,4-dienide
- 13012-33-4
- DTXSID50926605
- ({[2-(Dimethyliminio)-4,6-dimethylpyrimidin-5(2H)-ylidene]methylidene}amino)oxidanide
- NSC-106694
- NSC106694
-
- Inchi： 1S/C9H12N4O/c1-6-8(5-10-14)7(2)12-9(11-6)13(3)4/h1-4H3
- InChI Key： SFYRQISLPALYFC-UHFFFAOYSA-N
- SMILES： [O-][N+]#CC1C(C)=NC(=NC=1C)N(C)C
Computed Properties
- Exact Mass: 192.10126
- Monoisotopic Mass: 192.10111102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 242
- 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: 59.7?2
Experimental Properties
- PSA: 56.44
5-Pyrimidinecarbonitrile,2-(dimethylamino)-4,6-dimethyl-, N5-oxide Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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