Cas no 2039-55-6 ( )
structure
Product Name:
CAS No:2039-55-6
MF:C10H16ClNO2
MW:217.692542076111
CID:909702
PubChem ID:21144371
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(2,4-dimethoxyphenyl)ethanamine,hydrochloride
- 2,4-Dimethoxyphenethylamine HCl
- 2,4-Dimethoxy-phenethylamine hydrochloride
- NSC93713
- NSC-93713
- 2039-55-6
- 2-(2,4-Dimethoxyphenyl)ethan-1-amine--hydrogen chloride (1/1)
- DTXSID30611007
-
-
- Inchi： 1S/C10H15NO2.ClH/c1-12-9-4-3-8(5-6-11)10(7-9)13-2;/h3-4,7H,5-6,11H2,1-2H3;1H
- InChI Key： VCFLEMQTEQJWAB-UHFFFAOYSA-N
- SMILES： Cl.O(C)C1C=C(C=CC=1CCN)OC
Computed Properties
- Exact Mass: 217.08700
- Monoisotopic Mass: 217.0869564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 141
- 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: 44.5?2
Experimental Properties
- PSA: 44.48000
- LogP: 2.70730
Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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