1-(2-methylpropyl)-1H-1,3-benzodiazole-2-carbaldehyde
Completing data — refresh the page later to see the latest
Basic information
- CAS
610275-02-0- Standard SMILES
CC(C)Cn1c(C=O)nc2ccccc21- InChIKey
YSSSSYAZMZMSNB-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 1-(2-methylpropyl)-1H-1,3-benzodiazole-2-carbaldehyde
- IUPAC
- 1-(2-methylpropyl)benzimidazole-2-carbaldehyde
- English name
- IFLAB-BB F1076-0005
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25
Names & synonyms
1-(2-methylpropyl)-1H-1,3-benzodiazole-2-carbaldehydeRefChem:422518973-705-2610275-02-01-Isobutyl-1H-benzimidazole-2-carbaldehyde1-isobutyl-1H-benzo[d]imidazole-2-carbaldehydeMFCD031302441-(2-methylpropyl)benzimidazole-2-carbaldehyde1-Isobutylbenzimidazole-2-carbaldehyde1-(2-methylpropyl)-1H-benzimidazole-2-carbaldehydeF1076-0005IFLAB-BB F1076-0005
Show more names
OTAVA-BB 1056444CBI-BB ZERO/0064641H-Benzimidazole-2-carboxaldehyde, 1-(2-methylpropyl)-1-isobutyl-1H-benzimidazole-2-carbaldehyde(SALTDATA: FREE)
SCHEMBL28426171DTXSID40355405SMSSF-0063422KZA27502SBB018394STK787419AKOS000275402SY305311
Database identifiers
- CAS
610275-02-0- PubChem CID
- 799522
- DTXSID
DTXSID40355405- EC Number
- 973-705-2
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…