Basic information
- CAS
1004192-82-8- Standard SMILES
Cc1nn(COc2cccc(F)c2)c(C)c1N- InChIKey
NAFDPURJMLDPDK-UHFFFAOYSA-N- Molecular formula
- C12H14FN3O
- Average molar mass
- 235.26 g/mol
- Monoisotopic mass
- 235.11209024
Names & identifiers
- Preferred name
- 1-[(3-fluorophenoxy)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
- IUPAC
- 1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine
- English name
- 1-(3-FLUORO-PHENOXYMETHYL)-3,5-DIMETHYL-1H-PYRAZOL-4-YLAMINE
- Molecular formula
- C12H14FN3O
- Molecular weight
- 235.26
Names & synonyms
1004192-82-81-[(3-fluorophenoxy)methyl]-3,5-dimethyl-1H-pyrazol-4-amine1-((3-fluorophenoxy)methyl)-3,5-dimethyl-1h-pyrazol-4-amine1-(3-Fluoro-phenoxymethyl)-3,5-dimethyl-1H-pyrazol-4-ylamine1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine1-[(3-fluorophenoxy)methyl]-3,5-dimethyl-pyrazol-4-amine1-[(3-fluorophenoxy)methyl]-3,5-dimethylpyrazole-4-ylamineDTXSID801190604EQB19282MFCD04967714SBB021464STK349341
Show more names
AKOS B016652ART-CHEM-BB B0166521H-Pyrazol-4-amine, 1-[(3-fluorophenoxy)methyl]-3,5-dimethyl-
AKOS000306256CS-0240579ST45115055EN300-2291281-(3-Fluoro-phenoxymethyl)-3,5-dimethyl-1H-pyrazol-4-ylamine, AldrichCPR
Database identifiers
- CAS
1004192-82-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 379.1 · 379.1±42.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 4.01 · 4.01±0.10(Predicted)
- form
- solid
- UNSPSC Code
- 12352116 · 12352116
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- HS Code
- 2933199090 · 2933199090
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
- hs_code
- 2933199090
- risk_code
- 22-41
- hazard_code
- Xn
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…