910032-96-1 Purity
96%
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Specification
The molecular formula is C13H15N3O8.
The molecular weight is 341.27 g/mol.
Some synonyms include 910036-85-0, N-methyl-(1H-benzimidazol-5-ylmethyl)amine dioxalate, and 1-(3H-benzimidazol-5-yl)-N-methylmethanamine;oxalic acid.
It was created on December 4, 2007, and last modified on December 30, 2023.
The component compounds are Oxalic Acid (CID 971) and (1H-benzo[d]imidazol-5-yl)-N-methylmethanamine (CID 18525787).
The InChIKey is HDQRBNFLWRHBAA-UHFFFAOYSA-N.
The Canonical SMILES is CNCC1=CC2=C(C=C1)N=CN2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.
It has 6 hydrogen bond donor counts.
The topological polar surface area is 190 Angstrom^2.
Yes, N-Methyl-(1H-benzimidazol-5-ylmethyl)amine dioxalate is a canonicalized compound.