Basic information
- CAS
1212984-61-6- Standard SMILES
Cc1cccc([C@H](N)C(F)(F)F)c1- InChIKey
NOGCTIFPDCHTMB-QMMMGPOBSA-N- Molecular formula
- C9H10F3N
- Average molar mass
- 189.18 g/mol
- Monoisotopic mass
- 189.07653381
Names & identifiers
- Preferred name
- (S)-2,2,2-Trifluoro-1-(m-tolyl)ethan-1-amine
- IUPAC
- (1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethanamine
- English name
- (S)-2,2,2-TRIFLUORO-1-M-TOLYL-ETHYLAMINE
- Molecular formula
- C9H10F3N
- Molecular weight
- 189.1776096
Names & synonyms
(S)-2,2,2-Trifluoro-1-(m-tolyl)ethan-1-amine1212984-61-6(S)-2,2,2-trifluoro-1-(m-tolyl)ethanamine(S)-2,2,2-TRIFLUORO-1-M-TOLYL-ETHYLAMINEWLZ4420NOGCTIFPDCHTMB-QMMMGPOBSA-NAKOS015924761DB-179547Benzenemethanamine, 3-methyl-α-(trifluoromethyl)-, (αS)-
Database identifiers
- CAS
1212984-61-6- PubChem CID
- 56971960
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 218.3 · 218.3±40.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 6.22 · 6.22±0.10(Predicted)
Chemistry & industry
Suppliers5 total
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…