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114203-57-5 | Pyridinium, 4-(dimethylamino)-1-ethyl-, bromide (1:1)
CAS No: 114203-57-5 Catalog No: AG000ASC MDL No:
Product Description
Catalog Number:
AG000ASC
Chemical Name:
Pyridinium, 4-(dimethylamino)-1-ethyl-, bromide (1:1)
CAS Number:
114203-57-5
Molecular Formula:
C9H15BrN2
Molecular Weight:
231.1328
IUPAC Name:
1-ethyl-N,N-dimethylpyridin-1-ium-4-amine;bromide
InChI:
InChI=1S/C9H15N2.BrH/c1-4-11-7-5-9(6-8-11)10(2)3;/h5-8H,4H2,1-3H3;1H/q+1;/p-1
InChI Key:
QCDTUZRKZPWICQ-UHFFFAOYSA-M
SMILES:
CC[n+]1ccc(cc1)N(C)C.[Br-]
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.137g/mol
Monoisotopic Mass:
230.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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