Cas no 93431-21-1 (1,2-Ethanediamine,N1,N2-dimethyl-1-(3,4,5-trimethoxyphenyl)-, hydrochloride (1:2))
93431-21-1 structure
Product Name:1,2-Ethanediamine,N1,N2-dimethyl-1-(3,4,5-trimethoxyphenyl)-, hydrochloride (1:2)
CAS No:93431-21-1
MF:C13H23ClN2O3
MW:290.786322832108
CID:815691
PubChem ID:54603183
Update Time:2025-04-19
1,2-Ethanediamine,N1,N2-dimethyl-1-(3,4,5-trimethoxyphenyl)-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediamine,N1,N2-dimethyl-1-(3,4,5-trimethoxyphenyl)-, hydrochloride (1:2)
- N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine,hydrochloride
- N~1~,N~2~-Dimethyl-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine--hydrogen chloride (1/1)
- NSC172171
- DTXSID00713547
- NSC-172171
- 93431-21-1
-
- Inchi： 1S/C13H22N2O3.ClH/c1-14-8-10(15-2)9-6-11(16-3)13(18-5)12(7-9)17-4;/h6-7,10,14-15H,8H2,1-5H3;1H
- InChI Key： GKEYPILWUQIHHA-UHFFFAOYSA-N
- SMILES： Cl.O(C)C1C(=C(C=C(C=1)C(CNC)NC)OC)OC
Computed Properties
- Exact Mass: 290.14
- Monoisotopic Mass: 290.14
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 214
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 51.8A^2
Experimental Properties
- Density: 1.035
- Boiling Point: 360.5°Cat760mmHg
- Flash Point: 152.1°C
- Refractive Index: 1.5
1,2-Ethanediamine,N1,N2-dimethyl-1-(3,4,5-trimethoxyphenyl)-, hydrochloride (1:2) Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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