Cas no 1449516-27-1 (2-ethyl-4-(5-pyrimidinyl)benzenamine)
1449516-27-1 structure
Product Name:2-ethyl-4-(5-pyrimidinyl)benzenamine
CAS No:1449516-27-1
MF:C12H13N3
MW:199.251722097397
CID:2112862
Update Time:2023-11-19
2-ethyl-4-(5-pyrimidinyl)benzenamine Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-4-(5-pyrimidinyl)Benzenamine
- CID 81289472
- Benzenamine, 2-ethyl-4-(5-pyrimidinyl)-
- 2-ethyl-4-(5-pyrimidinyl)benzenamine
-
- Inchi： 1S/C12H13N3/c1-2-9-5-10(3-4-12(9)13)11-6-14-8-15-7-11/h3-8H,2,13H2,1H3
- InChI Key： TYLPBIDWUDLLQO-UHFFFAOYSA-N
- SMILES： NC1=CC=C(C2=CN=CN=C2)C=C1CC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 189
- Topological Polar Surface Area: 51.8
Experimental Properties
- Density: 1.130±0.06 g/cm3(Predicted)
- Boiling Point: 357.5±30.0 °C(Predicted)
- pka: 3.05±0.10(Predicted)
2-ethyl-4-(5-pyrimidinyl)benzenamine Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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