Cas no 183585-13-9 (N,N-Dibutyl-N-octadecyloctadecan-1-aminium chloride)
183585-13-9 structure
Product Name:N,N-Dibutyl-N-octadecyloctadecan-1-aminium chloride
CAS No:183585-13-9
MF:C44H92ClN
MW:670.66099357605
CID:2783724
PubChem ID:22367840
Update Time:2025-04-21
N,N-Dibutyl-N-octadecyloctadecan-1-aminium chloride Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL5085289
- 183585-13-9
- DTXSID60625233
- N,N-Dibutyl-N-octadecyloctadecan-1-aminium chloride
-
- Inchi： 1S/C44H92N.ClH/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-45(41-11-7-3,42-12-8-4)44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2;/h5-44H2,1-4H3;1H/q+1;/p-1
- InChI Key： CRZWCWDGGUAREG-UHFFFAOYSA-M
- SMILES： [Cl-].[N+](CCCC)(CCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 669.6918296Da
- Monoisotopic Mass: 669.6918296Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 46
- Rotatable Bond Count: 40
- Complexity: 467
- 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: 0?2
N,N-Dibutyl-N-octadecyloctadecan-1-aminium chloride Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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