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78483-77-9 | 1H-Benzimidazolium, 2-hexyl-1,3-dimethyl-, iodide
CAS No: 78483-77-9 Catalog No: AG005LB1 MDL No:
Product Description
Catalog Number:
AG005LB1
Chemical Name:
1H-Benzimidazolium, 2-hexyl-1,3-dimethyl-, iodide
CAS Number:
78483-77-9
Molecular Formula:
C15H25IN2
Molecular Weight:
360.2769
IUPAC Name:
2-hexyl-1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium;iodide
InChI:
InChI=1S/C15H24N2.HI/c1-4-5-6-7-12-15-16(2)13-10-8-9-11-14(13)17(15)3;/h8-11,15H,4-7,12H2,1-3H3;1H
InChI Key:
GQPSCRFZIDBZDC-UHFFFAOYSA-N
SMILES:
CCCCCCC1N(C)c2c([NH+]1C)cccc2.[I-]
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.283g/mol
Monoisotopic Mass:
360.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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