Cas no 3166-77-6 (Benzeneethanamine,2,3,5-trimethoxy-, hydrochloride (1:1))
3166-77-6 structure
Product Name:Benzeneethanamine,2,3,5-trimethoxy-, hydrochloride (1:1)
CAS No:3166-77-6
MF:C11H18ClNO3
MW:247.718522548676
CID:322435
PubChem ID:54601428
Update Time:2025-04-19
Benzeneethanamine,2,3,5-trimethoxy-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanamine,2,3,5-trimethoxy-, hydrochloride (1:1)
- 2-(2,3,5-trimethoxyphenyl)ethanamine
- NSC-53069
- CHEMBL2006080
- NSC53069
- 3166-77-6
-
- Inchi: 1S/C11H17NO3.ClH/c1-13-9-6-8(4-5-12)11(15-3)10(7-9)14-2;/h6-7H,4-5,12H2,1-3H3;1H
- InChI Key: IYWGZRLKHDWUAC-UHFFFAOYSA-N
- SMILES: Cl.O(C)C1C(=CC(=CC=1CCN)OC)OC
Computed Properties
- Exact Mass: 211.12091
- Monoisotopic Mass: 247.0975211g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 177
- 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: 53.7?2
Experimental Properties
- PSA: 53.71
- LogP: 2.71590
Benzeneethanamine,2,3,5-trimethoxy-, hydrochloride (1:1) Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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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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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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