Cas no 103350-60-3 (N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium dibenzoate)
103350-60-3 structure
Product Name:N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium dibenzoate
CAS No:103350-60-3
MF:C26H40N2O4
MW:444.60680770874
CID:1139975
PubChem ID:59746
Update Time:2025-04-20
N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium dibenzoate Chemical and Physical Properties
Names and Identifiers
-
- N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium dibenzoate
- trimethyl-[6-(trimethylazaniumyl)hexyl]azanium,dibenzoate
- AMMONIUM, HEXAMETHYLENEBIS(TRIMETHYL-, DIBENZOATE
- Hexamethylenebis(trimethylammonium benzoate)
- DTXSID30145796
- 103350-60-3
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- Inchi： 1S/C12H30N2.2C7H6O2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*8-7(9)6-4-2-1-3-5-6/h7-12H2,1-6H3;2*1-5H,(H,8,9)/q+2;;/p-2
- InChI Key： PQFBXTALPNNDKO-UHFFFAOYSA-L
- SMILES： [O-]C(C1C=CC=CC=1)=O.[O-]C(C1C=CC=CC=1)=O.[N+](C)(C)(C)CCCCCC[N+](C)(C)C
Computed Properties
- Exact Mass: 444.299
- Monoisotopic Mass: 444.29880776g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 7
- 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: 80.3?2
Experimental Properties
- PSA: 80.26
N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium dibenzoate Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
103350-60-3 (N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium dibenzoate) Related Products
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