Cas no 94087-73-7 (5-Octylpyrimidine-2,4,6-triamine)
94087-73-7 structure
Product Name:5-Octylpyrimidine-2,4,6-triamine
CAS No:94087-73-7
MF:C12H23N5
MW:237.344521760941
CID:815890
PubChem ID:3023445
Update Time:2025-04-19
5-Octylpyrimidine-2,4,6-triamine Chemical and Physical Properties
Names and Identifiers
-
- 5-Octylpyrimidine-2,4,6-triamine
- 94087-73-7
- EINECS 301-966-9
- DTXSID40240443
- SCHEMBL468531
- NS00039989
-
- Inchi： 1S/C12H23N5/c1-2-3-4-5-6-7-8-9-10(13)16-12(15)17-11(9)14/h2-8H2,1H3,(H6,13,14,15,16,17)
- InChI Key： HZGBHPCFGGQKLH-UHFFFAOYSA-N
- SMILES： N1C(N)=NC(=C(C=1N)CCCCCCCC)N
Computed Properties
- Exact Mass: 237.195346
- Monoisotopic Mass: 237.195346
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 187
- 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: 3.2
Experimental Properties
- Density: 1.106
- Boiling Point: 482.8°Cat760mmHg
- Flash Point: 277.5°C
- Refractive Index: 1.59
5-Octylpyrimidine-2,4,6-triamine Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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