Cas no 62564-48-1 (Benzenamine, 4-chloro-2,5-dimethyl-, hydrochloride)
62564-48-1 structure
Product Name:Benzenamine, 4-chloro-2,5-dimethyl-, hydrochloride
CAS No:62564-48-1
MF:C8H11Cl2N
MW:192.085640192032
CID:440078
PubChem ID:71385195
Update Time:2025-04-19
Benzenamine, 4-chloro-2,5-dimethyl-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-chloro-2,5-dimethyl-, hydrochloride
- 4-chloro-2,5-dimethylaniline,hydrochloride
- DTXSID40807434
- 62564-48-1
- 4-Chloro-2,5-dimethylaniline--hydrogen chloride (1/1)
-
- Inchi： 1S/C8H10ClN.ClH/c1-5-4-8(10)6(2)3-7(5)9;/h3-4H,10H2,1-2H3;1H
- InChI Key： LQTXINRZBNNCJE-UHFFFAOYSA-N
- SMILES： ClC1=CC(C)=C(C=C1C)N.Cl
Computed Properties
- Exact Mass: 191.02703
- Monoisotopic Mass: 191.0268547g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 116
- 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, 4-chloro-2,5-dimethyl-, hydrochloride Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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