Cas no 58725-48-7 (Benzoic acid,4-[(1-oxohexadecyl)amino]-)
![Benzoic acid,4-[(1-oxohexadecyl)amino]- structure](https://ossimg.kuujia.com/scimg/59000/58725-48-7x500.png)
58725-48-7 structure
Product Name:Benzoic acid,4-[(1-oxohexadecyl)amino]-
CAS No:58725-48-7
MF:C23H37NO3
MW:375.544787168503
CID:385275
PubChem ID:292376
Update Time:2025-04-19
Benzoic acid,4-[(1-oxohexadecyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-[(1-oxohexadecyl)amino]-
- 4-(hexadecanoylamino)benzoic acid
- 4-Hexadecanoylamino-benzoic acid
- 4-Palmitoylamino-benzoesaeure
- 4-palmitoylamino-benzoic acid
- AC1L6HVO
- AC1Q5MHX
- CHEMBL34153
- CTK5A8754
- NSC158096
- SureCN7829195
- 58725-48-7
- DTXSID80303384
- NSC-158096
- 4-palmitamidobenzoic acid
- AKOS001709477
- SCHEMBL7829195
-
- Inchi： 1S/C23H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(25)24-21-18-16-20(17-19-21)23(26)27/h16-19H,2-15H2,1H3,(H,24,25)(H,26,27)
- InChI Key： BJYWFTMCEMOMKQ-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCCCCCCCCCC)NC1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 375.27751
- Monoisotopic Mass: 375.27734404g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 16
- Complexity: 389
- 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: 8
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.4
- LogP: 6.87760
Benzoic acid,4-[(1-oxohexadecyl)amino]- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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