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98892-75-2 | 1-Butyl-2,3-dimethyl-1H-imidazol-3-ium chloride
CAS No: 98892-75-2 Catalog No: AG003B1D MDL No:MFCD03093291
Product Description
Catalog Number:
AG003B1D
Chemical Name:
1-Butyl-2,3-dimethyl-1H-imidazol-3-ium chloride
CAS Number:
98892-75-2
Molecular Formula:
C9H17ClN2
Molecular Weight:
188.6977
MDL Number:
MFCD03093291
IUPAC Name:
1-butyl-2,3-dimethylimidazol-3-ium;chloride
InChI:
InChI=1S/C9H17N2.ClH/c1-4-5-6-11-8-7-10(3)9(11)2;/h7-8H,4-6H2,1-3H3;1H/q+1;/p-1
InChI Key:
HHHYPTORQNESCU-UHFFFAOYSA-M
SMILES:
CCCCn1cc[n+](c1C)C.[Cl-]
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.108g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.699g/mol
Monoisotopic Mass:
188.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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