Basic information
- CAS
62832-87-5- Standard SMILES
CC(C)(C)NCCOc1nn(-c2ccccc2)cc1-c1ccccc1.CS(=O)(=O)O- InChIKey
QBUNYPSHOGLSAB-UHFFFAOYSA-N- Molecular formula
- C22H29N3O4S
- Average molar mass
- 431.6 g/mol
- Monoisotopic mass
- 431.18787759
Names & identifiers
- Preferred name
- Ethanamine, 2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)-N-(1,1-dimethylethyl)-, monomethanesulfonate
- IUPAC
- N-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]-2-methylpropan-2-amine;methanesulfonic acid
Names & synonyms
Ethanamine, 2-((1,4-diphenyl-1H-pyrazol-3-yl)oxy)-N-(1,1-dimethylethyl)-, monomethanesulfonate2-((1,4-Diphenyl-1H-pyrazol-3-yl)oxy)-N-(1,1-dimethylethyl)ethanamine monomethanesulfonate62832-87-5DTXSID90211986RefChem:339792DTXCID20134477Methanesulfonic acid--N-{2-[(1,4-diphenyl-1H-pyrazol-3-yl)oxy]ethyl}-2-methylpropan-2-amine (1/1)
Database identifiers
- CAS
62832-87-5- PubChem CID
- 3047005
- DTXSID
DTXSID90211986
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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