Basic information
- CAS
34703-82-7- Standard SMILES
C[NH+](C)CCOC[n+]1c[nH]c2ccccc21.O=C([O-])C(=O)O.O=C([O-])C(=O)O- InChIKey
UXCHPIWDNGVHOE-UHFFFAOYSA-N- Molecular formula
- C16H21N3O9
- Average molar mass
- 399.35 g/mol
- Monoisotopic mass
- 399.12777926
Names & identifiers
- Preferred name
- Benzimidazole, 1-((2-(dimethylamino)ethoxy)methyl)-, dioxalate
- IUPAC
- 2-(3H-benzimidazol-1-ium-1-ylmethoxy)ethyl-dimethylazanium;bis(2-hydroxy-2-oxoacetate)
Names & synonyms
1-((2-(Dimethylamino)ethoxy)methyl)-benzimidazole dioxalate34703-82-7BENZIMIDAZOLE, 1-((2-(DIMETHYLAMINO)ETHOXY)METHYL)-, DIOXALATERefChem:325782
Database identifiers
- CAS
34703-82-7- PubChem CID
- 36892
Properties
Computed structural properties
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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