Completing data — usually done within a minute
Basic information
- Standard SMILES
CN(Cc1cc(C(=O)O)n(C)n1)C1CCCCC1- InChIKey
KGSFSMQCQHOHJQ-UHFFFAOYSA-N- Molecular formula
- C13H21N3O2
- Average molar mass
- 251.33 g/mol
- Monoisotopic mass
- 251.16337691
Names & identifiers
- Preferred name
- 3-{[Cyclohexyl(methyl)amino]methyl}-1-methyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 3-{[Cyclohexyl(methyl)amino]methyl}-1-methyl-1H-pyrazole-5-carboxylic acid
- English name
- 3-((cyclohexyl(methyl)amino)methyl)-1-methyl-1H-pyrazole-5-carboxylic acid
- Molecular formula
- C13H21N3O2
- Molecular weight
- 251.33
Names & synonyms
5-[[cyclohexyl(methyl)amino]methyl]-2-methylpyrazole-3-carboxylic acid1H-Pyrazole-5-carboxylic acid, 3-[(cyclohexylmethylamino)methyl]-1-methyl-3-((cyclohexyl(methyl)amino)methyl)-1-methyl-1H-pyrazole-5-carboxylic acid
Database identifiers
- CAS
1223748-43-3- PubChem CID
- 46835769
- DTXSID
DTXSID50676577
Properties
Physicochemical properties
- Boiling point
- 420.405 · 420.405±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.232 · 1.232±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.77 · 2.770±0.25(predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
成都塞欧斯医药科技有限公司028-64971018 18108168130
上海相辉医药科技有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…