Basic information
- CAS
946741-06-6- Standard SMILES
CC(C)CCOc1ccc(N)c(C(F)(F)F)c1- InChIKey
FMWADMLMOUYKGT-UHFFFAOYSA-N- Molecular formula
- C12H16F3NO
- Average molar mass
- 247.26 g/mol
- Monoisotopic mass
- 247.11839862
Names & identifiers
- Preferred name
- 4-(Isopentyloxy)-2-(trifluoromethyl)aniline
- IUPAC
- 4-(3-methylbutoxy)-2-(trifluoromethyl)aniline
- English name
- 4-(ISOPENTYLOXY)-2-(TRIFLUOROMETHYL)ANILINE
- Molecular formula
- C12H16F3NO
- Molecular weight
- 247.26
Names & synonyms
4-(ISOPENTYLOXY)-2-(TRIFLUOROMETHYL)ANILINE4-(3-methylbutoxy)-2-(trifluoromethyl)aniline946741-06-6SCHEMBL10352864FMWADMLMOUYKGT-UHFFFAOYSA-NAKOS000214866Benzenamine, 4-(3-methylbutoxy)-2-(trifluoromethyl)-
Database identifiers
- CAS
946741-06-6- PubChem CID
- 21612546
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 230
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
Suppliers3 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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