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Home > Imidazoles > 113289-83-1
113289-83-1 | 1H-Imidazolium, 4,5-dihydro-1-(2-hydroxyethyl)-1-methyl-
CAS No: 113289-83-1 Catalog No: AG00821B MDL No:
Product Description
Catalog Number:
AG00821B
Chemical Name:
1H-Imidazolium, 4,5-dihydro-1-(2-hydroxyethyl)-1-methyl-
CAS Number:
113289-83-1
Molecular Formula:
C6H13N2O+
Molecular Weight:
129.1802
IUPAC Name:
2-(1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
InChI:
InChI=1S/C6H13N2O/c1-8(4-5-9)3-2-7-6-8/h6,9H,2-5H2,1H3/q+1
InChI Key:
AERBHQYSUWNIDS-UHFFFAOYSA-N
SMILES:
C[N+]1(CCO)CCN=C1
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.103g/mol
Formal Charge:
1
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.183g/mol
Monoisotopic Mass:
129.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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