Cas no 30354-68-8 (1,3,5-Triazine-2,4-diamine,6-(2-methylpropyl)-)
30354-68-8 structure
Product Name:1,3,5-Triazine-2,4-diamine,6-(2-methylpropyl)-
1,3,5-Triazine-2,4-diamine,6-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine-2,4-diamine,6-(2-methylpropyl)-
- 6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
- SCHEMBL672555
- DTXSID40275119
- 30354-68-8
-
- Inchi： 1S/C7H13N5/c1-4(2)3-5-10-6(8)12-7(9)11-5/h4H,3H2,1-2H3,(H4,8,9,10,11,12)
- InChI Key： HHHIPBOXROPCSR-UHFFFAOYSA-N
- SMILES： N1C(N)=NC(N)=NC=1CC(C)C
Computed Properties
- Exact Mass: 167.11729
- Monoisotopic Mass: 167.117
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 128
- 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: 90.7A^2
- XLogP3: 0.9
Experimental Properties
- Density: 1.195
- Boiling Point: 410°Cat760mmHg
- Flash Point: 230.9°C
- Refractive Index: 1.598
- PSA: 90.71
1,3,5-Triazine-2,4-diamine,6-(2-methylpropyl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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