Basic information
- CAS
957483-12-4- Standard SMILES
COc1ccc(C(C)n2nccc2N)cc1- InChIKey
PVDNFFDOIHTQQB-UHFFFAOYSA-N- Molecular formula
- C12H15N3O
- Average molar mass
- 217.27 g/mol
Names & identifiers
- Preferred name
- 2-[1-(4-Methoxy-phenyl)-ethyl]-2H-pyrazol-3-ylamine
- IUPAC
- 2-[1-(4-methoxyphenyl)ethyl]pyrazol-3-amine
- English name
- 2-[1-(4-Methoxy-phenyl)-ethyl]-2H-pyrazol-3-ylamine
- Molecular formula
- C12H15N3O
- Molecular weight
- 217.27
Names & synonyms
957483-12-42-[1-(4-Methoxy-phenyl)-ethyl]-2H-pyrazol-3-ylamine1-(1-(4-Methoxyphenyl)ethyl)-1H-pyrazol-5-amine2-[1-(4-methoxyphenyl)ethyl]pyrazol-3-amine1-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-amineAKOS000147104ASINEX-REAG BAS 065020381H-Pyrazol-5-amine, 1-[1-(4-methoxyphenyl)ethyl]-
Database identifiers
- CAS
957483-12-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
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
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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