Cas no 219581-06-3 (Pyrimidine,2-chloro-5-nonyl-)
Pyrimidine,2-chloro-5-nonyl- structure
Product Name:Pyrimidine,2-chloro-5-nonyl-
CAS No:219581-06-3
MF:C13H21ClN2
MW:240.772242307663
CID:243657
PubChem ID:15456847
Update Time:2025-04-19
Pyrimidine,2-chloro-5-nonyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,2-chloro-5-nonyl-
- 2-chloro-5-nonylpyrimidine
- 2-chloro-5-n-nonylpyrimidine
- DTXSID90572948
- SCHEMBL4478012
- JAKNRIGJJMHYJN-UHFFFAOYSA-N
- 219581-06-3
- MFCD01321118
-
- Inchi： 1S/C13H21ClN2/c1-2-3-4-5-6-7-8-9-12-10-15-13(14)16-11-12/h10-11H,2-9H2,1H3
- InChI Key： JAKNRIGJJMHYJN-UHFFFAOYSA-N
- SMILES： ClC1=NC=C(C=N1)CCCCCCCCC
Computed Properties
- Exact Mass: 240.13900
- Monoisotopic Mass: 240.1393264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 156
- 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: 5.8
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78000
- LogP: 4.42310
Pyrimidine,2-chloro-5-nonyl- Security Information
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36/37/39
- Risk Phrases：R36/37/38
Pyrimidine,2-chloro-5-nonyl- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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