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811860-75-0 | 1H-Imidazolium, 1-methyl-3-(3-methylbutyl)-, iodide
CAS No: 811860-75-0 Catalog No: AG005FBA MDL No:
Product Description
Catalog Number:
AG005FBA
Chemical Name:
1H-Imidazolium, 1-methyl-3-(3-methylbutyl)-, iodide
CAS Number:
811860-75-0
Molecular Formula:
C9H19IN2
Molecular Weight:
282.1650
IUPAC Name:
1-methyl-3-(3-methylbutyl)-1,2-dihydroimidazol-1-ium;iodide
InChI:
InChI=1S/C9H18N2.HI/c1-9(2)4-5-11-7-6-10(3)8-11;/h6-7,9H,4-5,8H2,1-3H3;1H
InChI Key:
DNPKMVGPYVUHDJ-UHFFFAOYSA-N
SMILES:
CC(CCN1C=C[NH+](C1)C)C.[I-]
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.169g/mol
Monoisotopic Mass:
282.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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