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Home > Imidazoles > 753009-11-9
753009-11-9 | 1H-Imidazolium, 1-(2-hydroxypropyl)-3-methyl-, chloride
CAS No: 753009-11-9 Catalog No: AG005MET MDL No:
Product Description
Catalog Number:
AG005MET
Chemical Name:
1H-Imidazolium, 1-(2-hydroxypropyl)-3-methyl-, chloride
CAS Number:
753009-11-9
Molecular Formula:
C7H15ClN2O
Molecular Weight:
178.6598
IUPAC Name:
1-(3-methyl-1,2-dihydroimidazol-1-ium-1-yl)propan-2-ol;chloride
InChI:
InChI=1S/C7H14N2O.ClH/c1-7(10)5-9-4-3-8(2)6-9;/h3-4,7,10H,5-6H2,1-2H3;1H
InChI Key:
WDAAPCJCAPHTBT-UHFFFAOYSA-N
SMILES:
CC(C[NH+]1C=CN(C1)C)O.[Cl-]
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.66g/mol
Monoisotopic Mass:
178.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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