Cas no 194800-08-3 (Benzenesulfonic acid, 4-[[4-[(4-amino-3-methylphenyl)hydroxy[4-(phenylamino)phenyl]methyl]phenyl]amino]-, sodium salt (1:1))
![Benzenesulfonic acid, 4-[[4-[(4-amino-3-methylphenyl)hydroxy[4-(phenylamino)phenyl]methyl]phenyl]amino]-, sodium salt (1:1) structure](https://ossimg.kuujia.com/scimg/195000/194800-08-3x500.png)
194800-08-3 structure
Product Name:Benzenesulfonic acid, 4-[[4-[(4-amino-3-methylphenyl)hydroxy[4-(phenylamino)phenyl]methyl]phenyl]amino]-, sodium salt (1:1)
CAS No:194800-08-3
MF:C32H30N3NaO4S
MW:575.653077602386
CID:4524397
Update Time:2025-04-24
Benzenesulfonic acid, 4-[[4-[(4-amino-3-methylphenyl)hydroxy[4-(phenylamino)phenyl]methyl]phenyl]amino]-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonic acid, 4-[[4-[(4-amino-3-methylphenyl)hydroxy[4-(phenylamino)phenyl]methyl]phenyl]amino]-, sodium salt (1:1)
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- Inchi： 1S/C32H29N3O4S.Na.H/c1-22-21-25(11-20-31(22)33)32(36,23-7-12-27(13-8-23)34-26-5-3-2-4-6-26)24-9-14-28(15-10-24)35-29-16-18-30(19-17-29)40(37,38)39;;/h2-21,34-36H,33H2,1H3,(H,37,38,39);;
- InChI Key： ITYLXDNUOSCHKF-UHFFFAOYSA-N
- SMILES： C(C1C=CC(N)=C(C)C=1)(C1C=CC(NC2C=CC=CC=2)=CC=1)(C1C=CC(NC2C=CC(S(O)(=O)=O)=CC=2)=CC=1)O.[NaH]
Computed Properties
- Exact Mass: 573.17
- Monoisotopic Mass: 573.17
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 41
- Rotatable Bond Count: 8
- Complexity: 889
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 136A^2
Experimental Properties
- PSA: 102.00000
- LogP: 10.00530
Benzenesulfonic acid, 4-[[4-[(4-amino-3-methylphenyl)hydroxy[4-(phenylamino)phenyl]methyl]phenyl]amino]-, sodium salt (1:1) Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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