Cas no 5526-50-1 (4H-1-Benzopyran-4-one,3-[[4-(dimethylamino)phenyl]amino]-, hydrochloride (1:1))
![4H-1-Benzopyran-4-one,3-[[4-(dimethylamino)phenyl]amino]-, hydrochloride (1:1) structure](https://ossimg.kuujia.com/scimg/6000/5526-50-1x500.png)
5526-50-1 structure
Product Name:4H-1-Benzopyran-4-one,3-[[4-(dimethylamino)phenyl]amino]-, hydrochloride (1:1)
CAS No:5526-50-1
MF:C22H16Br2N4O4
MW:560.194843292236
CID:381061
PubChem ID:1367859
Update Time:2025-04-19
4H-1-Benzopyran-4-one,3-[[4-(dimethylamino)phenyl]amino]-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 4H-1-Benzopyran-4-one,3-[[4-(dimethylamino)phenyl]amino]-, hydrochloride (1:1)
- 1-N',3-N'-bis(4-bromobenzoyl)benzene-1,3-dicarbohydrazide
- 1,3-benzenedicarboxylic acid, bis[2-(4-bromobenzoyl)hydrazide]
- N'~1~,N'~3~-Bis(4-bromobenzoyl)isophthalohydrazide
- DTXSID10362267
- AKOS005446709
- 5526-50-1
- STK373233
-
- Inchi： 1S/C22H16Br2N4O4/c23-17-8-4-13(5-9-17)19(29)25-27-21(31)15-2-1-3-16(12-15)22(32)28-26-20(30)14-6-10-18(24)11-7-14/h1-12H,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
- InChI Key： FTEZTNJJGDXZJJ-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C(NNC(C1C=CC=C(C(NNC(C2C=CC(=CC=2)Br)=O)=O)C=1)=O)=O
Computed Properties
- Exact Mass: 557.95388
- Monoisotopic Mass: 557.954
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 4
- Complexity: 635
- 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: 4.2
- Topological Polar Surface Area: 116?2
Experimental Properties
- Density: 1.652
- Boiling Point: 849.5°C at 760 mmHg
- Flash Point: 467.6°C
- Refractive Index: 1.665
- PSA: 116.4
4H-1-Benzopyran-4-one,3-[[4-(dimethylamino)phenyl]amino]-, hydrochloride (1:1) Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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