Cas no 31299-84-0 (Pyridine,3-ethyl-2-methyl-, hydrochloride (1:1))
31299-84-0 structure
Product Name:Pyridine,3-ethyl-2-methyl-, hydrochloride (1:1)
CAS No:31299-84-0
MF:C8H12ClN
MW:157.640581130981
CID:308314
PubChem ID:207962
Update Time:2025-04-19
Pyridine,3-ethyl-2-methyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Pyridine,3-ethyl-2-methyl-, hydrochloride (1:1)
- 3-ethyl-2-methylpyridine,hydrochloride
- Pyridine, 3-ethyl-2-methyl-, hydrochloride
- DTXSID10185216
- 3-Ethyl-2-picoline hydrochloride
- 2-Picoline, 3-ethyl-, hydrochloride
- 31299-84-0
- 3-Ethyl-2-methylpyridine hydrochloride
-
- Inchi： 1S/C8H11N.ClH/c1-3-8-5-4-6-9-7(8)2;/h4-6H,3H2,1-2H3;1H
- InChI Key： SIYLAWZQXVOXPR-UHFFFAOYSA-N
- SMILES： Cl.N1C=CC=C(C=1C)CC
Computed Properties
- Exact Mass: 157.06596
- Monoisotopic Mass: 157.0658271g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 80.6
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89
Pyridine,3-ethyl-2-methyl-, hydrochloride (1:1) Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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