Cas no 104399-42-0 (Benzoic acid,4-(butylamino)-, 3,6,9,12,15,18,21,24,27,30,33-undecaoxatetratriacont-1-ylester)
104399-42-0 structure
Product Name:Benzoic acid,4-(butylamino)-, 3,6,9,12,15,18,21,24,27,30,33-undecaoxatetratriacont-1-ylester
CAS No:104399-42-0
MF:C34H61NO13
MW:691.847052335739
CID:197225
PubChem ID:59855
Update Time:2025-04-19
Benzoic acid,4-(butylamino)-, 3,6,9,12,15,18,21,24,27,30,33-undecaoxatetratriacont-1-ylester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,4-(butylamino)-, 3,6,9,12,15,18,21,24,27,30,33-undecaoxatetratriacont-1-ylester
- Benzoicacid, p-butylamino-,2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylester (6CI)
- 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
- DTXSID20146459
- p-Butylaminobenzoesaeureester von undecylaethylenglykolmonomethan
- p-Butylaminobenzoesaeureester von undecylaethylenglykolmonomethan [German]
- 104399-42-0
- KM 99
- Benzoic acid, p-butylamino-, 2-(2-(2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl ester
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- Inchi： 1S/C34H61NO13/c1-3-4-9-35-33-7-5-32(6-8-33)34(36)48-31-30-47-29-28-46-27-26-45-25-24-44-23-22-43-21-20-42-19-18-41-17-16-40-15-14-39-13-12-38-11-10-37-2/h5-8,35H,3-4,9-31H2,1-2H3
- InChI Key： HNOGANIQOXBQSJ-UHFFFAOYSA-N
- SMILES： O(CCOCCOCCOCCOCCOC(C1C=CC(=CC=1)NCCCC)=O)CCOCCOCCOCCOCCOCCOC
Computed Properties
- Exact Mass: 691.41443
- Monoisotopic Mass: 691.414
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 48
- Rotatable Bond Count: 39
- Complexity: 657
- 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: 2.2
- Topological Polar Surface Area: 140A^2
Experimental Properties
- Density: 1.099
- Boiling Point: 704.2°Cat760mmHg
- Flash Point: 379.7°C
- Refractive Index: 1.492
- PSA: 139.86
- LogP: 2.94080
Benzoic acid,4-(butylamino)-, 3,6,9,12,15,18,21,24,27,30,33-undecaoxatetratriacont-1-ylester Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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