Cas no 6634-57-7 (4,4-bis[4-hydroxy-3-[(n-phenylanilino)methyl]phenyl]pentanoic Acid)
![4,4-bis[4-hydroxy-3-[(n-phenylanilino)methyl]phenyl]pentanoic Acid structure](https://ossimg.kuujia.com/scimg/7000/6634-57-7x500.png)
6634-57-7 structure
Product Name:4,4-bis[4-hydroxy-3-[(n-phenylanilino)methyl]phenyl]pentanoic Acid
CAS No:6634-57-7
MF:C43H40N2O4
MW:648.788711547852
CID:1708945
PubChem ID:242912
Update Time:2025-04-21
4,4-bis[4-hydroxy-3-[(n-phenylanilino)methyl]phenyl]pentanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 4,4-bis[4-hydroxy-3-[(n-phenylanilino)methyl]phenyl]pentanoic Acid
- NSC51921
- 4,4-Bis(3-((diphenylamino)methyl)-4-hydroxyphenyl)pentanoic acid
- 4,4-bis{3-[(diphenylamino)methyl]-4-hydroxyphenyl}pentanoic acid
- AC1L6AFS
- AC1Q5VTE
- CTK5C4318
- AR-1F7792
- NSC 51921
- NSC-51921
- NSC51921; 4,4-Bis(3-((diphenylamino)methyl)-4-hydroxyphenyl)pentanoic acid; 4,4-bis{3-[(diphenylamino)methyl]-4-hydroxyphenyl}pentanoic acid; AC1L6AFS; AC1Q5VTE; CTK5C4318; AR-1F7792; NSC 51921; NSC-51921;
- 4,4-bis[3-[(diphenylamino)methyl]-4-hydroxy-phenyl]pentanoic acid
- DTXSID80216546
- 6634-57-7
- DS-005122
-
- Inchi： 1S/C43H40N2O4/c1-43(27-26-42(48)49,34-22-24-40(46)32(28-34)30-44(36-14-6-2-7-15-36)37-16-8-3-9-17-37)35-23-25-41(47)33(29-35)31-45(38-18-10-4-11-19-38)39-20-12-5-13-21-39/h2-25,28-29,46-47H,26-27,30-31H2,1H3,(H,48,49)
- InChI Key： JVHLBDIAJWTLDO-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1CN(C1C=CC=CC=1)C1C=CC=CC=1)C(C)(C1C=CC(=C(CN(C2C=CC=CC=2)C2C=CC=CC=2)C=1)O)CCC(=O)O
Computed Properties
- Exact Mass: 648.299
- Monoisotopic Mass: 648.29880776g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 49
- Rotatable Bond Count: 13
- Complexity: 880
- 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: 9.7
- Topological Polar Surface Area: 84.2?2
Experimental Properties
- PSA: 84.24
4,4-bis[4-hydroxy-3-[(n-phenylanilino)methyl]phenyl]pentanoic Acid Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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