Cas no 98790-49-9 (Benzenemethanaminium,N-dodecyl-N,N-dimethyl-a-oxo-, chloride (1:1))
98790-49-9 structure
Product Name:Benzenemethanaminium,N-dodecyl-N,N-dimethyl-a-oxo-, chloride (1:1)
CAS No:98790-49-9
MF:C21H36ClNO
MW:353.969645500183
CID:811576
PubChem ID:192251
Update Time:2025-04-19
Benzenemethanaminium,N-dodecyl-N,N-dimethyl-a-oxo-, chloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanaminium,N-dodecyl-N,N-dimethyl-a-oxo-, chloride (1:1)
- benzyldimethyllaurylammonium
- 98790-49-9
- DTXSID20913082
- benzoyl-dodecyl-dimethylazanium;chloride
- N-Dodecyl-N,N-dimethylbenzenecarboxamidium chloride
- SCHEMBL6738383
- Benzyldimethyllaurylammonium bromide
- Brbdla
-
- Inchi： 1S/C21H36NO.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)21(23)20-17-14-13-15-18-20;/h13-15,17-18H,4-12,16,19H2,1-3H3;1H/q+1;/p-1
- InChI Key： PWRYHUHCAVGSJA-UHFFFAOYSA-M
- SMILES： [Cl-].O=C(C1C=CC=CC=1)[N+](C)(C)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 353.2485425g/mol
- Monoisotopic Mass: 353.2485425g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 12
- Complexity: 305
- 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: 17.1?2
Benzenemethanaminium,N-dodecyl-N,N-dimethyl-a-oxo-, chloride (1:1) Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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