Basic information
- CAS
354-68-7- Standard SMILES
CC(O)(CN)C(F)(F)F- InChIKey
TYJCFMFELXBCOZ-UHFFFAOYSA-N- Molecular formula
- C4H8F3NO
- Average molar mass
- 143.11 g/mol
- Monoisotopic mass
- 143.05579836
Names & identifiers
- Preferred name
- 3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol
- IUPAC
- 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol
- English name
- 3-amino-1,1,1-trifluoro-2-methylpropan-2-ol
- Molecular formula
- C4H8F3NO
- Molecular weight
- 143.11
Names & synonyms
3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol354-68-7SCHEMBL2371656CHEMBL4526416DTXSID00545204AKOS006295554DB-183186CS-0276135EN300-1191313-amino-1,1,1-trifluoro-2-methyl-propan-2-olF8889-4617EOS-60390
Show more names
2-Propanol, 3-amino-1,1,1-trifluoro-2-methyl-
Database identifiers
- CAS
354-68-7- PubChem CID
- 13620759
- DTXSID
DTXSID00545204- ChEMBL
CHEMBL4526416
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Melting point
- 70 · 70-71 °C
- Boiling point
- 183.2 · 183.2±40.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- pka
- 10.21 · 10.21±0.50(Predicted)
Chemistry & industry
Suppliers3 total
德州博腾精细化工有限公司[email protected]
德州朗维医药科技有限公司13761310616 · [email protected]
上海京河医药科技有限公司21-13482015261-883 13482015261 · [email protected]
Related reactions
20 records
Compound notes
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