Cas no 4038-50-0 (2,4,6-Pyrimidinetriamine,5-(3-methylbutyl)-)
4038-50-0 structure
Product Name:2,4,6-Pyrimidinetriamine,5-(3-methylbutyl)-
2,4,6-Pyrimidinetriamine,5-(3-methylbutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Pyrimidinetriamine,5-(3-methylbutyl)-
- 5-(3-methylbutyl)pyrimidine-2,4,6-triamine
- NSC-212002
- NSC212002
- DTXSID30309452
- 4038-50-0
-
- Inchi： 1S/C9H17N5/c1-5(2)3-4-6-7(10)13-9(12)14-8(6)11/h5H,3-4H2,1-2H3,(H6,10,11,12,13,14)
- InChI Key： QFIPQIKUKFISPM-UHFFFAOYSA-N
- SMILES： N1C(N)=NC(=C(C=1N)CCC(C)C)N
Computed Properties
- Exact Mass: 195.14861
- Monoisotopic Mass: 195.14839556g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 161
- 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: 1.3
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 103.84
2,4,6-Pyrimidinetriamine,5-(3-methylbutyl)- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
4038-50-0 (2,4,6-Pyrimidinetriamine,5-(3-methylbutyl)-) Related Products
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