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89389-93-5 | Pyridinium, 1-butyl-4-(dimethylamino)-, bromide
CAS No: 89389-93-5 Catalog No: AG0058H1 MDL No:
Product Description
Catalog Number:
AG0058H1
Chemical Name:
Pyridinium, 1-butyl-4-(dimethylamino)-, bromide
CAS Number:
89389-93-5
Molecular Formula:
C11H19BrN2
Molecular Weight:
259.1860
IUPAC Name:
1-butyl-N,N-dimethylpyridin-1-ium-4-amine;bromide
InChI:
InChI=1S/C11H19N2.BrH/c1-4-5-8-13-9-6-11(7-10-13)12(2)3;/h6-7,9-10H,4-5,8H2,1-3H3;1H/q+1;/p-1
InChI Key:
JVJBMUKOLSWGRA-UHFFFAOYSA-M
SMILES:
CCCC[n+]1ccc(cc1)N(C)C.[Br-]
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.073g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.191g/mol
Monoisotopic Mass:
258.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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