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Home > Imidazoles > 178631-05-5
178631-05-5 | 1H-Imidazolium, 3-hexyl-1-methyl-, iodide (1:1)
CAS No: 178631-05-5 Catalog No: AG00267D MDL No:MFCD12964976
Product Description
Catalog Number:
AG00267D
Chemical Name:
1H-Imidazolium, 3-hexyl-1-methyl-, iodide (1:1)
CAS Number:
178631-05-5
Molecular Formula:
C10H21IN2
Molecular Weight:
296.1916
MDL Number:
MFCD12964976
IUPAC Name:
1-hexyl-3-methylimidazol-3-ium;iodide
InChI:
InChI=1S/C10H19N2.HI/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1
InChI Key:
CZIUVCSYOGFUPH-UHFFFAOYSA-M
SMILES:
CCCCCCN1C=C[NH+](C1)C.[I-]
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.18g/mol
Monoisotopic Mass:
294.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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