Cas no 261789-10-0 (Benzeneethanamine,2,5-diethoxy-)
261789-10-0 structure
Product Name:Benzeneethanamine,2,5-diethoxy-
CAS No:261789-10-0
MF:C12H19NO2
MW:209.2847635746
CID:247412
PubChem ID:10584535
Update Time:2025-04-19
Benzeneethanamine,2,5-diethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanamine,2,5-diethoxy-
- Benzeneethanamine, 2,5-diethoxy- (9CI)
- 2-(2,5-diethoxyphenyl)ethanamine
- 2,5-diethoxyphenethylamine
- SCHEMBL7774582
- NGQHFFIVHRDNMH-UHFFFAOYSA-N
- 261789-10-0
- DTXSID40442086
-
- Inchi： 1S/C12H19NO2/c1-3-14-11-5-6-12(15-4-2)10(9-11)7-8-13/h5-6,9H,3-4,7-8,13H2,1-2H3
- InChI Key： NGQHFFIVHRDNMH-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(=CC=1CCN)OCC
Computed Properties
- Exact Mass: 209.14167
- Monoisotopic Mass: 209.141578849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 44.5?2
Experimental Properties
- PSA: 44.48
Benzeneethanamine,2,5-diethoxy- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
261789-10-0 (Benzeneethanamine,2,5-diethoxy-) Related Products
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