Cas no 149037-13-8 (1,3,5-Triazin-2-amine,4,6-diethenyl-)
149037-13-8 structure
Product Name:1,3,5-Triazin-2-amine,4,6-diethenyl-
CAS No:149037-13-8
MF:C7H8N4
MW:148.16522026062
CID:100326
Update Time:2024-01-24
1,3,5-Triazin-2-amine,4,6-diethenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazin-2-amine,4,6-diethenyl-
- 1,3,5-Triazin-2-amine,4,6-diethenyl-(9CI)
- 1,3,5-Triazin-2-amine, 4,6-diethenyl-
-
- Inchi： 1S/C7H8N4/c1-3-5-9-6(4-2)11-7(8)10-5/h3-4H,1-2H2,(H2,8,9,10,11)
- InChI Key： ZCSUSPZTBMXRPP-UHFFFAOYSA-N
- SMILES： N1=C(C=C)N=C(C=C)N=C1N
Computed Properties
- Exact Mass: 148.075
- Monoisotopic Mass: 148.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 141
- 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: 64.7A^2
Experimental Properties
- Density: 1.201±0.06 g/cm3(Predicted)
- Boiling Point: 365.2±25.0 °C(Predicted)
- pka: 3.08±0.10(Predicted)
1,3,5-Triazin-2-amine,4,6-diethenyl- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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