Cas no 148788-55-0 (1-Decanaminium, N-decyl-N,N-dimethyl-, carbonate (2:1))
148788-55-0 structure
Product Name:1-Decanaminium, N-decyl-N,N-dimethyl-, carbonate (2:1)
CAS No:148788-55-0
MF:C45H96N2O3
MW:713.255354881287
CID:222786
PubChem ID:11513226
Update Time:2025-04-19
1-Decanaminium, N-decyl-N,N-dimethyl-, carbonate (2:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Decanaminium, N-decyl-N,N-dimethyl-, carbonate (2:1)
- DIDECYL DIMETHYL AMMONIUM BICARBONATE
- didecyl(dimethyl)azanium,carbonate
- DIDECYLDIMETHYLAMMONIUMCARBONATE
- Carboshield 1000
- DDABC
- N-Decyl-N,N-dimethyl-1-decanaminium bicarbonate
- N-Decyl-N,N-dimethyl-1-dec·Naminium bicarb·Nate
- DIDECYL DIMETHYLAMMONIUM CARBONATE
- didecyl(dimethyl)azanium;carbonate
- didecyldimethylammonium carbonate
- BARDAC 22C50
- 6P2116RFY9
- DTXSID6040329
- NS00127477
- 148788-55-0
- EPA PESTICIDE CHEMICAL CODE 069208
- Q27265256
- didecyl dimethyl ammonium carbonate
- SCHEMBL50092
- UNII-6P2116RFY9
- Didecyldimonium carbonate
-
- Inchi： 1S/2C22H48N.CH2O3/c2*1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;2-1(3)4/h2*5-22H2,1-4H3;(H2,2,3,4)/q2*+1;/p-2
- InChI Key： TXOJCSIIFFMREV-UHFFFAOYSA-L
- SMILES： [O-]C(=O)[O-].[N+](C)(C)(CCCCCCCCCC)CCCCCCCCCC.[N+](C)(C)(CCCCCCCCCC)CCCCCCCCCC
Computed Properties
- Exact Mass: 387.37100
- Monoisotopic Mass: 712.74209493g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 50
- Rotatable Bond Count: 36
- Complexity: 219
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.2?2
Experimental Properties
- PSA: 60.36000
- LogP: 6.23190
1-Decanaminium, N-decyl-N,N-dimethyl-, carbonate (2:1) Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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