Cas no 637011-56-4 (Ethanol, 2,2'-[(2-amino-5-nitro-1,4-phenylene)bis(oxy)]bis-)
![Ethanol, 2,2'-[(2-amino-5-nitro-1,4-phenylene)bis(oxy)]bis- structure](https://ossimg.kuujia.com/scimg/637500/637011-56-4x500.png)
637011-56-4 structure
Product Name:Ethanol, 2,2'-[(2-amino-5-nitro-1,4-phenylene)bis(oxy)]bis-
CAS No:637011-56-4
MF:C10H14N2O6
MW:258.227962970734
CID:425922
PubChem ID:22766342
Update Time:2025-04-19
Ethanol, 2,2'-[(2-amino-5-nitro-1,4-phenylene)bis(oxy)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2,2'-[(2-amino-5-nitro-1,4-phenylene)bis(oxy)]bis-
- 2-[2-amino-4-(2-hydroxyethoxy)-5-nitrophenoxy]ethanol
- DTXSID10628310
- 2,2'-[(2-Amino-5-nitro-1,4-phenylene)bis(oxy)]di(ethan-1-ol)
- SCHEMBL11596705
- 637011-56-4
-
- Inchi： 1S/C10H14N2O6/c11-7-5-10(18-4-2-14)8(12(15)16)6-9(7)17-3-1-13/h5-6,13-14H,1-4,11H2
- InChI Key： VAIIWAKSGVCXTE-UHFFFAOYSA-N
- SMILES： O(CCO)C1C=C(C(=CC=1[N+](=O)[O-])OCCO)N
Computed Properties
- Exact Mass: 258.08522
- Monoisotopic Mass: 258.08518617g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 259
- 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: -0.4
- Topological Polar Surface Area: 131?2
Experimental Properties
- PSA: 128.08
Ethanol, 2,2'-[(2-amino-5-nitro-1,4-phenylene)bis(oxy)]bis- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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