Cas no 62224-70-8 (Benzenamine, 2-chloro-3-methyl-, hydrochloride)
62224-70-8 structure
Product Name:Benzenamine, 2-chloro-3-methyl-, hydrochloride
CAS No:62224-70-8
MF:C7H9Cl2N
MW:178.059059858322
CID:453661
PubChem ID:12300742
Update Time:2025-04-19
Benzenamine, 2-chloro-3-methyl-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-chloro-3-methyl-, hydrochloride
- 2-chloro-3-methylaniline,hydrochloride
- DTXSID80486348
- 62224-70-8
-
- Inchi： 1S/C7H8ClN.ClH/c1-5-3-2-4-6(9)7(5)8;/h2-4H,9H2,1H3;1H
- InChI Key： HPZDCFBWDJYDMD-UHFFFAOYSA-N
- SMILES： ClC1C(=CC=CC=1C)N.Cl
Computed Properties
- Exact Mass: 177.01137
- Monoisotopic Mass: 177.0112047g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 94.9
- 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: 26?2
Experimental Properties
- PSA: 26.02
Benzenamine, 2-chloro-3-methyl-, hydrochloride Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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