Cas no 66376-41-8 (1-Decanaminium, N,N,N-tris(decyl)-, benzoate)
66376-41-8 structure
Product Name:1-Decanaminium, N,N,N-tris(decyl)-, benzoate
CAS No:66376-41-8
MF:C47H89NO2
MW:700.21507525444
CID:396396
PubChem ID:71375072
Update Time:2025-04-19
1-Decanaminium, N,N,N-tris(decyl)-, benzoate Chemical and Physical Properties
Names and Identifiers
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- 1-Decanaminium, N,N,N-tris(decyl)-, benzoate
- tetrakis-decylazanium,benzoate
- DTXSID80797825
- N,N,N-Tris(decyl)decan-1-aminium benzoate
- 66376-41-8
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- Inchi: 1S/C40H84N.C7H6O2/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;8-7(9)6-4-2-1-3-5-6/h5-40H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1
- InChI Key: QGDUWZMDTGMLOO-UHFFFAOYSA-M
- SMILES: [O-]C(C1C=CC=CC=1)=O.[N+](CCCCCCCCCC)(CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC
Computed Properties
- Exact Mass: 699.68977
- Monoisotopic Mass: 699.68933108g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 50
- Rotatable Bond Count: 36
- Complexity: 470
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.1?2
Experimental Properties
- PSA: 40.13
1-Decanaminium, N,N,N-tris(decyl)-, benzoate Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
66376-41-8 (1-Decanaminium, N,N,N-tris(decyl)-, benzoate) Related Products
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