Cas no 126335-41-9 (1,4-Benzenediamine, 2-ethoxy-)
1,4-Benzenediamine, 2-ethoxy- structure
Product Name:1,4-Benzenediamine, 2-ethoxy-
CAS No:126335-41-9
MF:C8H12N2O
MW:152.193681716919
CID:230711
PubChem ID:147985
Update Time:2025-04-19
1,4-Benzenediamine, 2-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediamine, 2-ethoxy-
- 2-ethoxybenzene-1,4-diamine
- Benzene-1,4-diamine, 2-ethoxy-
- 1,4-Benzenediamine, 2-ethoxy-
- SCHEMBL2026347
- 126335-41-9
- DTXSID60925508
- starbld0012916
- AKOS012980944
-
- Inchi： 1S/C8H12N2O/c1-2-11-8-5-6(9)3-4-7(8)10/h3-5H,2,9-10H2,1H3
- InChI Key： PKMIIMPMZIHGAJ-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C=CC=1N)N
Computed Properties
- Exact Mass: 152.09506
- Monoisotopic Mass: 152.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 61.3?2
Experimental Properties
- PSA: 61.27
1,4-Benzenediamine, 2-ethoxy- Related Literature
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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