2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
Basic information
- CAS
1992-07-0- Standard SMILES
Cc1ccc(N)c(C(O)(C(F)(F)F)C(F)(F)F)c1- InChIKey
HNKHGSNMOSFCRL-UHFFFAOYSA-N- Molecular formula
- C10H9F6NO
- Average molar mass
- 273.17 g/mol
- Monoisotopic mass
- 273.05883288
Names & identifiers
- Preferred name
- 2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
- IUPAC
- 2-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
- English name
- 2-(2-AMino-5-Methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
- Molecular formula
- C10H9F6NO
- Molecular weight
- 273.17
Names & synonyms
1992-07-02-(2-amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol2-(2-Amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoro-2-propanolMLS000100647IFLab1_000835CHEMBL1408543SCHEMBL12352871DTXSID20313109HMS1414F21HMS2259I10NSC266260
Show more names
Benzenemethanol, 2-amino-5-methyl-α,α-bis(trifluoromethyl)-4-methyl-2-aniline
NSC-266260SMR000017379DB-345970EU-0070158SR-01000420164SR-01000420164-12-(2-Amino-5-methylphenyl)-1,1,1,3,3,3-hexafluoro-2-propanol #Benzenemethanol, 2-amino-5-methyl-alpha,alpha-bis(trifluoromethyl)-
Database identifiers
- CAS
1992-07-0- PubChem CID
- 320085
- DTXSID
DTXSID20313109- ChEMBL
CHEMBL1408543- Nikkaji
- J1.296.246K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 111 · 111-112 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 299 · 299.0±40.0 °C(Predicted)
- Density
- 1.449 · 1.449±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.12 · 9.12±0.24(Predicted)
- HS Code
- 2922190090 · 2922190090
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
- 2922190090
Related reactions
1 records
Compound notes
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