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127269-24-3 | Pyridinium, 4-(dimethylamino)-1-(2-ethylhexyl)-, bromide (1:1)
CAS No: 127269-24-3 Catalog No: AG000WTO MDL No:
Product Description
Catalog Number:
AG000WTO
Chemical Name:
Pyridinium, 4-(dimethylamino)-1-(2-ethylhexyl)-, bromide (1:1)
CAS Number:
127269-24-3
Molecular Formula:
C15H27BrN2
Molecular Weight:
315.2923
IUPAC Name:
1-(2-ethylhexyl)-N,N-dimethylpyridin-1-ium-4-amine;bromide
InChI:
InChI=1S/C15H27N2.BrH/c1-5-7-8-14(6-2)13-17-11-9-15(10-12-17)16(3)4;/h9-12,14H,5-8,13H2,1-4H3;1H/q+1;/p-1
InChI Key:
DIFDOPSLBYNPKJ-UHFFFAOYSA-M
SMILES:
CCCCC(C[n+]1ccc(cc1)N(C)C)CC.[Br-]
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.299g/mol
Monoisotopic Mass:
314.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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