Cas no 94087-77-1 (2,4,6-Pyrimidinetriamine,5-tetradecyl-)
94087-77-1 structure
Product Name:2,4,6-Pyrimidinetriamine,5-tetradecyl-
CAS No:94087-77-1
MF:C18H35N5
MW:321.504003763199
CID:807853
PubChem ID:3023449
Update Time:2025-04-19
2,4,6-Pyrimidinetriamine,5-tetradecyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Pyrimidinetriamine,5-tetradecyl-
- 5-tetradecylpyrimidine-2,4,6-triamine
- DTXSID80240447
- EINECS 301-971-6
- 94087-77-1
- NS00039993
-
- Inchi： 1S/C18H35N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)22-18(21)23-17(15)20/h2-14H2,1H3,(H6,19,20,21,22,23)
- InChI Key： ZYBZGAVYYLHNQK-UHFFFAOYSA-N
- SMILES： N1C(N)=NC(=C(C=1N)CCCCCCCCCCCCCC)N
Computed Properties
- Exact Mass: 321.289246
- Monoisotopic Mass: 321.289246
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 23
- Rotatable Bond Count: 13
- Complexity: 262
- 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
- Topological Polar Surface Area: 104
- XLogP3: 6.5
Experimental Properties
- Density: 1.025
- Boiling Point: 537.5°Cat760mmHg
- Flash Point: 312.5°C
- Refractive Index: 1.552
2,4,6-Pyrimidinetriamine,5-tetradecyl- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
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3. 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
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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