5-Methyl-1H-benzo[d]imidazole-2-carbaldehyde hydrochloride
Basic information
- CAS
1185304-18-0- Standard SMILES
Cc1ccc2nc(C=O)[nH]c2c1.Cl- InChIKey
UXMGUQOZKBIBOF-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O
- Average molar mass
- 196.63 g/mol
- Monoisotopic mass
- 196.0403406
Names & identifiers
- Preferred name
- 5-Methyl-1H-benzo[d]imidazole-2-carbaldehyde hydrochloride
- IUPAC
- 6-methyl-1H-benzimidazole-2-carbaldehyde;hydrochloride
- English name
- 5-Methyl-1H-benzoimidazole-2-carbaldehydehydrochloride
- Molecular formula
- C9H9ClN2O
- Molecular weight
- 196.63356
Names & synonyms
1185304-18-05-Methyl-1H-benzo[d]imidazole-2-carbaldehyde hydrochloride5-Methyl-1H-benzoimidazole-2-carbaldehyde hydrochloride5-methyl-1H-1,3-benzodiazole-2-carbaldehyde hydrochloride5-Methyl-1H-benzoimidazole-2-carbaldehydehydrochloride6-methyl-1H-benzimidazole-2-carbaldehyde;hydrochlorideSCHEMBL29956249DTXSID30663001AKOS015844389AKOS015958932CS-04418676-Methyl-1H-benzimidazole-2-carbaldehyde hydrochloride
Show more names
5-Methyl-1H-benzo[d]imidazole-2-carbaldehydehydrochloride6-Methyl-1H-benzimidazole-2-carbaldehyde--hydrogen chloride (1/1)6-Methyl-1H-1,3-benzimidazole-2-carbaldehyde--hydrogen chloride (1/1)
Database identifiers
- CAS
1185304-18-0- PubChem CID
- 45075173
- DTXSID
DTXSID30663001
Properties
Computed structural properties
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…