Cas no 102207-69-2 (4-Pyrimidinamine,6-chloro-5-hexyl-2-methyl-)
102207-69-2 structure
Product Name:4-Pyrimidinamine,6-chloro-5-hexyl-2-methyl-
CAS No:102207-69-2
MF:C11H18ClN3
MW:227.733721256256
CID:173427
PubChem ID:3025148
Update Time:2025-04-19
4-Pyrimidinamine,6-chloro-5-hexyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine,6-chloro-5-hexyl-2-methyl-
- 6-chloro-5-hexyl-2-methyl-pyrimidin-4-amine
- 6-chloro-5-hexyl-2-methylpyrimidin-4-amine
- 4-Amino-6-chloro-5-hexyl-2-methylpyrimidine
- BRN 0170138
- Pyrimidine, 4-amino-6-chloro-5-hexyl-2-methyl-
- 102207-69-2
- DTXSID40144790
- 4-25-00-02242 (Beilstein Handbook Reference)
-
- Inchi： 1S/C11H18ClN3/c1-3-4-5-6-7-9-10(12)14-8(2)15-11(9)13/h3-7H2,1-2H3,(H2,13,14,15)
- InChI Key： DUZHGJDTZVOGAW-UHFFFAOYSA-N
- SMILES： ClC1=C(C(N)=NC(C)=N1)CCCCCC
Computed Properties
- Exact Mass: 227.11914
- Monoisotopic Mass: 227.119
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 177
- 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: 4.2
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- Density: 1.109
- Boiling Point: 345.2°Cat760mmHg
- Flash Point: 162.6°C
- Refractive Index: 1.54
- PSA: 51.8
- LogP: 3.72460
4-Pyrimidinamine,6-chloro-5-hexyl-2-methyl- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
102207-69-2 (4-Pyrimidinamine,6-chloro-5-hexyl-2-methyl-) Related Products
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- 27228-43-9(4-Pyrimidinamine,5-ethyl-)
- 27228-44-0(4-Pyrimidinamine,5-propyl-)
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