Cas no 39959-88-1 (2-(3,4-dichlorophenyl)ethanamine hydrochloride (1:1))
39959-88-1 structure
Product Name:2-(3,4-dichlorophenyl)ethanamine hydrochloride (1:1)
CAS No:39959-88-1
MF:C8H10Cl3N
MW:226.530699253082
CID:1514902
PubChem ID:217957
Update Time:2025-04-21
2-(3,4-dichlorophenyl)ethanamine hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2-(3,4-dichlorophenyl)ethanamine hydrochloride (1:1)
- benzeneethanamine, 3,4-dichloro-, hydrochloride (1:1)
- 2-(3,4-dichlorophenyl)ethanamine,hydrochloride
- beta-3,4-Dichlorophenylethylamine hydrochloride
- Phenethylamine, 3,4-dichloro-, hydrochloride
- VYYFLQOCNRTVRV-UHFFFAOYSA-N
- SCHEMBL2540390
- Ethylamine, beta-3,4-dichlorophenyl-, hydrochloride
- DTXSID00192999
- 39959-88-1
- N-(3,4-Dichlorobenzyl)methylamine hydrogen chloride salt
- USAF EL-28
- 2-(3,4-dichlorophenyl)ethan-1-amine hydrochloride
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- Inchi： 1S/C8H9Cl2N.ClH/c9-7-2-1-6(3-4-11)5-8(7)10;/h1-2,5H,3-4,11H2;1H
- InChI Key： VYYFLQOCNRTVRV-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)CCN)Cl.Cl
Computed Properties
- Exact Mass: 224.9881
- Monoisotopic Mass: 224.987882g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 119
- 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
2-(3,4-dichlorophenyl)ethanamine hydrochloride (1:1) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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