Cas no 94087-72-6 (2,4,6-Pyrimidinetriamine,5-hexyl-)
94087-72-6 structure
Product Name:2,4,6-Pyrimidinetriamine,5-hexyl-
CAS No:94087-72-6
MF:C10H19N5
MW:209.291361093521
CID:804008
PubChem ID:3023444
Update Time:2025-04-19
2,4,6-Pyrimidinetriamine,5-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-Pyrimidinetriamine,5-hexyl-
- 5-hexylpyrimidine-2,4,6-triamine
- DTXSID80240442
- 94087-72-6
- NS00039988
- EINECS 301-965-3
-
- Inchi： 1S/C10H19N5/c1-2-3-4-5-6-7-8(11)14-10(13)15-9(7)12/h2-6H2,1H3,(H6,11,12,13,14,15)
- InChI Key： RLGBSGOJEYAKKB-UHFFFAOYSA-N
- SMILES： N1C(N)=NC(=C(C=1N)CCCCCC)N
Computed Properties
- Exact Mass: 209.164046
- Monoisotopic Mass: 209.164046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 163
- 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: 2.1
Experimental Properties
- Density: 1.152
- Boiling Point: 469.5°Cat760mmHg
- Flash Point: 269°C
- Refractive Index: 1.613
2,4,6-Pyrimidinetriamine,5-hexyl- Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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