Cas no 3166-84-5 (Benzeneethanamine,2,3,6-trimethoxy-, hydrochloride (1:1))
3166-84-5 structure
Product Name:Benzeneethanamine,2,3,6-trimethoxy-, hydrochloride (1:1)
CAS No:3166-84-5
MF:C11H18ClNO3
MW:247.718522548676
CID:315622
PubChem ID:54609736
Update Time:2025-04-19
Benzeneethanamine,2,3,6-trimethoxy-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanamine,2,3,6-trimethoxy-, hydrochloride (1:1)
- 2-(2,3,6-trimethoxyphenyl)ethanamine,hydrochloride
- 2,3,6-Trimethoxy-phenaethylamin, Hydrochlorid
- 2,3,6-trimethoxy-phenethylamine, hydrochloride
- NSC57660
- DTXSID80715004
- 2-(2,3,6-Trimethoxyphenyl)ethan-1-amine--hydrogen chloride (1/1)
- NSC-57660
- 3166-84-5
-
- Inchi： 1S/C11H17NO3.ClH/c1-13-9-4-5-10(14-2)11(15-3)8(9)6-7-12;/h4-5H,6-7,12H2,1-3H3;1H
- InChI Key： ZLXLFRSPBLYIPV-UHFFFAOYSA-N
- SMILES： Cl.O(C)C1C(=CC=C(C=1CCN)OC)OC
Computed Properties
- Exact Mass: 211.12091
- Monoisotopic Mass: 247.098
- 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: 53.7A^2
Experimental Properties
- Density: 1.067
- Boiling Point: 309.4°Cat760mmHg
- Flash Point: 143.6°C
- Refractive Index: 1.511
- PSA: 53.71
- LogP: 2.71590
Benzeneethanamine,2,3,6-trimethoxy-, hydrochloride (1:1) Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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