N-methyl-(1H-benzimidazol-5-ylmethyl)amine dioxalate
Basic information
- CAS
910036-85-0- Standard SMILES
CNCc1ccc2nc[nH]c2c1.O=C(O)C(=O)O.O=C(O)C(=O)O- InChIKey
HDQRBNFLWRHBAA-UHFFFAOYSA-N- Molecular formula
- C13H15N3O8
- Average molar mass
- 341.27 g/mol
- Monoisotopic mass
- 341.08591445
Names & identifiers
- Preferred name
- N-methyl-(1H-benzimidazol-5-ylmethyl)amine dioxalate
- IUPAC
- 1-(3H-benzimidazol-5-yl)-N-methylmethanamine;oxalic acid
- English name
- N-Methyl-(1H-benzimidazol-5-ylmethyl)amine dioxalate
- Molecular formula
- C9H12ClN3
- Molecular weight
- 197.67
Names & synonyms
910036-85-0N-methyl-(1H-benzimidazol-5-ylmethyl)amine dioxalate1-(3H-benzimidazol-5-yl)-N-methylmethanamine;oxalic acid1-(1H-Benzo[d]imidazol-6-yl)-N-methylmethanamine dioxalate[(1H-1,3-benzodiazol-5-yl)methyl](methyl)amine; bis(oxalic acid)DTXSID70594542MS-22527Oxalic acid--1-(1H-benzimidazol-6-yl)-N-methylmethanamine (2/1)Oxalic acid--1-(1H-1,3-benzimidazol-6-yl)-N-methylmethanamine (2/1)N-METHYL-(1H-BENZIMIDAZOL-5-YLMETHYL)AMINE DI-OXOLATEn-methyl-(1h-benzimidazol-5-ylmethyl)amine hydrochloride
Database identifiers
- CAS
910036-85-0- PubChem CID
- 18525786
- DTXSID
DTXSID70594542
Properties
Computed structural properties
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22-41
- hazard_code
- Xn
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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