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Home > Imidazoles > 81994-82-3
81994-82-3 | 1H-Imidazolium, 1-methyl-3-pentyl-
CAS No: 81994-82-3 Catalog No: AG005EPR MDL No:
Product Description
Catalog Number:
AG005EPR
Chemical Name:
1H-Imidazolium, 1-methyl-3-pentyl-
CAS Number:
81994-82-3
Molecular Formula:
C9H19N2+
Molecular Weight:
155.2606
IUPAC Name:
1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium
InChI:
InChI=1S/C9H18N2/c1-3-4-5-6-11-8-7-10(2)9-11/h7-8H,3-6,9H2,1-2H3/p+1
InChI Key:
HDXFBBSZRMZTFF-UHFFFAOYSA-O
SMILES:
CCCCCN1C=C[NH+](C1)C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.155g/mol
Formal Charge:
1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.265g/mol
Monoisotopic Mass:
155.155g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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