Cas no 25317-48-0 (2-Naphthalenesulfonicacid, 7-(acetylamino)-3-[2-[4-(acetylamino)phenyl]diazenyl]-4-hydroxy-)
25317-48-0 structure
Product Name:2-Naphthalenesulfonicacid, 7-(acetylamino)-3-[2-[4-(acetylamino)phenyl]diazenyl]-4-hydroxy-
CAS No:25317-48-0
MF:C20H18N4O6S
MW:442.445123195648
CID:285860
PubChem ID:80358
Update Time:2025-04-19
2-Naphthalenesulfonicacid, 7-(acetylamino)-3-[2-[4-(acetylamino)phenyl]diazenyl]-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenesulfonicacid, 7-(acetylamino)-3-[2-[4-(acetylamino)phenyl]diazenyl]-4-hydroxy-
- (3E)-7-(acetylamino)-3-{2-[4-(acetylamino)phenyl]hydrazinylidene}-4-oxo-3,4-dihydronaphthalene-2-sulfonic acid
- 7-(Acetylamino)-3-((4-(acetylamino)phenyl)azo)-4-hydroxynaphthalene-2-sulphonic acid
- 7-acetamido-3-(4-acetamidophenyl)azo-4-hydroxy-naphthalene-2-sulfonic acid
- NS00083776
- DTXSID701043725
- 1088236-45-6
- 7-Acetamido-3-[(4-acetamidophenyl)diazenyl]-4-hydroxy-2-naphthalenesulfonic acid
- DTXSID80863716
- 7-Acetamido-3-[(E)-(4-acetamidophenyl)diazenyl]-4-hydroxy-2-naphthalenesulfonic acid
- 25317-48-0
- EINECS 246-828-8
- 7-(ACETYLAMINO)-3-[[4-(ACETYLAMINO)PHENYL]AZO]-4-HYDROXYNAPHTHALENE-2-SULFONIC ACID
-
- Inchi: 1S/C20H18N4O6S/c1-11(25)21-14-3-5-15(6-4-14)23-24-19-18(31(28,29)30)10-13-9-16(22-12(2)26)7-8-17(13)20(19)27/h3-10,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30)/b24-23+
- InChI Key: CECGUGFIJCQUOO-WCWDXBQESA-N
- SMILES: S(C1C(=C(C2C=CC(=CC=2C=1)NC(C)=O)O)/N=N/C1C=CC(=CC=1)NC(C)=O)(=O)(=O)O
Computed Properties
- Exact Mass: 442.09484
- Monoisotopic Mass: 442.094705
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 899
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 162
- XLogP3: 1.7
Experimental Properties
- Density: 1.49
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.683
- PSA: 157.52
2-Naphthalenesulfonicacid, 7-(acetylamino)-3-[2-[4-(acetylamino)phenyl]diazenyl]-4-hydroxy- Related Literature
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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