Cas no 6621-72-3 (4-chloro-6-(2-phenylethyl)pyrimidin-2-amine)
6621-72-3 structure
Product Name:4-chloro-6-(2-phenylethyl)pyrimidin-2-amine
CAS No:6621-72-3
MF:C12H12ClN3
MW:233.696781158447
CID:1706426
PubChem ID:244936
Update Time:2025-04-21
4-chloro-6-(2-phenylethyl)pyrimidin-2-amine Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-6-(2-phenylethyl)pyrimidin-2-amine
- 4-chloro-6-phenethylpyrimidin-2-amine
- NSC 56273
- NSC-56273
- A1-59531
- 6621-72-3
- NSC56273
- DTXSID50288513
- SCHEMBL3715977
-
- Inchi： 1S/C12H12ClN3/c13-11-8-10(15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,15,16)
- InChI Key： VTRVFUAODRFOMM-UHFFFAOYSA-N
- SMILES： ClC1=CC(CCC2C=CC=CC=2)=NC(N)=N1
Computed Properties
- Exact Mass: 233.07216
- Monoisotopic Mass: 233.072
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 206
- 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
- XLogP3: 3.1
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- Density: 1.272
- Boiling Point: 402.4°C at 760 mmHg
- Flash Point: 197.2°C
- Refractive Index: 1.633
- PSA: 51.8
4-chloro-6-(2-phenylethyl)pyrimidin-2-amine Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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