Cas no 126335-43-1 (Ethanol,2-(2,5-diaminophenoxy)-)
126335-43-1 structure
Product Name:Ethanol,2-(2,5-diaminophenoxy)-
CAS No:126335-43-1
MF:C8H12N2O2
MW:168.193081855774
CID:209191
PubChem ID:147987
Update Time:2025-04-19
Ethanol,2-(2,5-diaminophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol,2-(2,5-diaminophenoxy)-
- 2-(2,5-diaminophenoxy)ethanol
- SCHEMBL33692
- 126335-43-1
- DTXSID30155153
- Ethanol, 2-(2,5-diaminophenoxy)-
-
- Inchi： 1S/C8H12N2O2/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-2,5,11H,3-4,9-10H2
- InChI Key： KULOFVMDAJSPOK-UHFFFAOYSA-N
- SMILES： O(CCO)C1C=C(C=CC=1N)N
Computed Properties
- Exact Mass: 168.08996
- Monoisotopic Mass: 168.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 132
- 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: _0.1
- Topological Polar Surface Area: 81.5?2
Experimental Properties
- Density: 1.274
- Boiling Point: 393.3°Cat760mmHg
- Flash Point: 191.7°C
- Refractive Index: 1.64
- PSA: 81.5
Ethanol,2-(2,5-diaminophenoxy)- Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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