Cas no 53227-32-0 (2-Propyn-1-amine, N-methyl-, hydrochloride)
53227-32-0 structure
Product Name:2-Propyn-1-amine, N-methyl-, hydrochloride
CAS No:53227-32-0
MF:C4H8ClN
MW:105.566020011902
CID:1584950
Update Time:2024-09-11
2-Propyn-1-amine, N-methyl-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 2-Propyn-1-amine, N-methyl-, hydrochloride
- 2-Propyn-1-amine, N-methyl-, hydrochloride (9CI)
- N-Methyl-2-propyn-1-amine HCl
-
- Inchi： 1S/C4H7N.ClH/c1-3-4-5-2;/h1,5H,4H2,2H3;1H
- InChI Key： ZAZZWJCFLLKEBB-UHFFFAOYSA-N
- SMILES： C(NC)C#C.Cl
Computed Properties
- Exact Mass: 105.03464
- Monoisotopic Mass: 105.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 47.9
- 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: 12A^2
Experimental Properties
- PSA: 12.03
2-Propyn-1-amine, N-methyl-, hydrochloride Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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