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13112-75-9 | 1,2-Ethanediaminium, N1,N2-dibutyl-N1,N1,N2,N2-tetramethyl-, bromide (1:2)
CAS No: 13112-75-9 Catalog No: AG000VKB MDL No:
Product Description
Catalog Number:
AG000VKB
Chemical Name:
1,2-Ethanediaminium, N1,N2-dibutyl-N1,N1,N2,N2-tetramethyl-, bromide (1:2)
CAS Number:
13112-75-9
Molecular Formula:
C14H34Br2N2
Molecular Weight:
390.2412
IUPAC Name:
butyl-[2-[butyl(dimethyl)azaniumyl]ethyl]-dimethylazanium
InChI:
InChI=1S/C14H34N2/c1-7-9-11-15(3,4)13-14-16(5,6)12-10-8-2/h7-14H2,1-6H3/q+2
InChI Key:
NPMISLFPFLZDGM-UHFFFAOYSA-N
SMILES:
CCCC[N+](CC[N+](CCCC)(C)C)(C)C.[Br-].[Br-]
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.272g/mol
Formal Charge:
2
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.44g/mol
Monoisotopic Mass:
230.272g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| N,N'-Dibutyl-N,N,N',N'-tetra-methyl-ethane-1,2-diaminium μ-oxido-bis-[trichloridoferrate(III)]. | Acta crystallographica. Section E, Structure reports online 20120601 |
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