Basic information
- CAS
121043-32-1- Standard SMILES
CN(c1ccc(F)cc1)C(C)(C)C(=O)O- InChIKey
HGMZSLHSIZYJFQ-UHFFFAOYSA-N- Molecular formula
- C11H14FNO2
- Average molar mass
- 211.23 g/mol
- Monoisotopic mass
- 211.10085685
Overview
19F-nuclear magnetic resonance pH indicator; structure given in first source
Names & identifiers
- Preferred name
- N,N-(Methyl-2-carboxyisopropyl)-4-fluoroaniline
- IUPAC
- 2-(4-fluoro-N-methylanilino)-2-methylpropanoic acid
- English name
- Alanine, N-(4-fluorophenyl)-N,2-dimethyl-
- Molecular formula
- C11H14FNO2
- Molecular weight
- 211.23
Names & synonyms
N,N-Mcipfa121043-32-1N,N-(Methyl-2-carboxyisopropyl)-4-fluoroanilineDTXSID00153121RefChem:161080DTXCID90756122-(4-fluoro-N-methylanilino)-2-methylpropanoic acidAlanine, N-(4-fluorophenyl)-N,2-dimethyl-N-(4-Fluorophenyl)-N,2-dimethylalanine
Database identifiers
- CAS
121043-32-1- PubChem CID
- 129342
- DTXSID
DTXSID00153121
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 338.483 · 338.483±27.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.201 · 1.201±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.835 · 1.835±0.10(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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