Cas no 901586-66-1 (4-chloro-6-ethyl-2-(3-methylpiperidin-1-yl)pyrimidine)
901586-66-1 structure
Product Name:4-chloro-6-ethyl-2-(3-methylpiperidin-1-yl)pyrimidine
CAS No:901586-66-1
MF:C12H18ClN3
MW:239.744421482086
CID:1949156
PubChem ID:17999039
Update Time:2025-04-21
4-chloro-6-ethyl-2-(3-methylpiperidin-1-yl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-CHLORO-6-ETHYL-2-(3-METHYL-1-PIPERIDINYL)PYRIMIDINE
- LogP
- 4-chloro-6-ethyl-2-(3-methylpiperidin-1-yl)pyrimidine
- DTXSID60592178
- 901586-66-1
-
- Inchi： 1S/C12H18ClN3/c1-3-10-7-11(13)15-12(14-10)16-6-4-5-9(2)8-16/h7,9H,3-6,8H2,1-2H3
- InChI Key： YIGJBYOBWUMDLI-UHFFFAOYSA-N
- SMILES： ClC1C=C(CC)N=C(N=1)N1CCCC(C)C1
Computed Properties
- Exact Mass: 239.1189253Da
- Monoisotopic Mass: 239.1189253Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 29?2
Experimental Properties
- Density: 1.126
- Boiling Point: 366.9°C at 760 mmHg
- Flash Point: 175.7°C
- Refractive Index: 1.536
4-chloro-6-ethyl-2-(3-methylpiperidin-1-yl)pyrimidine Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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