2-methyl-N-(2-methylphenyl)Alanine
Basic information
- CAS
117755-95-0- Standard SMILES
Cc1ccccc1NC(C)(C)C(=O)O- InChIKey
BGPKMWAGWPGAQM-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 2-methyl-N-(2-methylphenyl)Alanine
- IUPAC
- 2-methyl-2-(2-methylanilino)propanoic acid
- English name
- Alanine, 2-Methyl-N-(2-Methylphenyl)-
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
117755-95-02-methyl-2-(2-methylanilino)propanoic acidAlanine, 2-methyl-N-(2-methylphenyl)-2-Methyl-2-(o-tolylamino)propanoic acid2-Methyl-N-(2-methylphenyl)-Alanine2-methyl-N-(2-methylphenyl)AlanineSCHEMBL4406254DTXSID701298328AKOS0001027432-Methyl-2-(o-tolylamino)propanoicacid2-Methyl-2-o-tolylamino-propionic acidDB-061054
Database identifiers
- CAS
117755-95-0- PubChem CID
- 2760102
- DTXSID
DTXSID701298328
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 368 · 368.0±25.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 1.97 · 1.97±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…