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Home > Imidazoles > 141702-79-6
141702-79-6 | 1H-Benzimidazolium, 1,3-bis(hydroxymethyl)-5-methyl-
CAS No: 141702-79-6 Catalog No: AG001GXF MDL No:
Product Description
Catalog Number:
AG001GXF
Chemical Name:
1H-Benzimidazolium, 1,3-bis(hydroxymethyl)-5-methyl-
CAS Number:
141702-79-6
Molecular Formula:
C10H15N2O2+
Molecular Weight:
195.2383
IUPAC Name:
[3-(hydroxymethyl)-5-methyl-1,2-dihydrobenzimidazol-1-ium-1-yl]methanol
InChI:
InChI=1S/C10H14N2O2/c1-8-2-3-9-10(4-8)12(7-14)5-11(9)6-13/h2-4,13-14H,5-7H2,1H3/p+1
InChI Key:
RNVNDFDFEVMRRZ-UHFFFAOYSA-O
SMILES:
OCN1C[NH+](c2c1cc(C)cc2)CO
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.113g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.242g/mol
Monoisotopic Mass:
195.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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