1-Methylamino-3-(2-trifluoromethyl-benzoimidazol-1-yl)-propan-2-ol
Basic information
- CAS
801228-17-1- Standard SMILES
CNCC(O)Cn1c(C(F)(F)F)nc2ccccc21- InChIKey
YZDOPYVGAQAWIW-UHFFFAOYSA-N- Molecular formula
- C12H14F3N3O
- Average molar mass
- 273.25 g/mol
- Monoisotopic mass
- 273.10889656
Names & identifiers
- Preferred name
- 1-Methylamino-3-(2-trifluoromethyl-benzoimidazol-1-yl)-propan-2-ol
- IUPAC
- 1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
- English name
- 1-Methylamino-3-(2-trifluoromethyl-benzoimidazol-1-yl)-propan-2-ol
- Molecular formula
- C12H14F3N3O
- Molecular weight
- 273.26
Names & synonyms
801228-17-11-Methylamino-3-(2-trifluoromethyl-benzoimidazol-1-yl)-propan-2-ol1-(Methylamino)-3-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)propan-2-ol1-(methylamino)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol1-(methylamino)-3-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propan-2-ol1-(methylamino)-3-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]propan-2-olMLS000529014BAS 09717468TimTec1_008101CHEMBL1332489DTXSID301153273HMS1557A05
Show more names
1H-Benzimidazole-1-ethanol, α-[(methylamino)methyl]-2-(trifluoromethyl)-
HMS2333C05SMSSF-0044433MFCD05239093STK927709AKOS000303495AKOS016316179SMR000121489ST086034
Database identifiers
- CAS
801228-17-1- PubChem CID
- 3159019
- DTXSID
DTXSID301153273- ChEMBL
CHEMBL1332489
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 399.4 · 399.4±42.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 14.09 · 14.09±0.20(Predicted)
- 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
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