Basic information
- CAS
63906-48-9- Standard SMILES
Cc1ccccc1CNC(C(=O)O)c1ccccc1- InChIKey
TZWJIEYUCJKWND-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- Acetic acid, 2-phenyl-2-(o-xylylamino)-
- IUPAC
- 2-[(2-methylphenyl)methylamino]-2-phenylacetic acid
- English name
- 2-Phenyl-2-(2-methylbenzylamino)acetic acid
- Molecular formula
- C16H17NO2
- Molecular weight
- 255.31
Names & synonyms
2-Phenyl-2-(o-xylylamino)acetic acid63906-48-9ACETIC ACID, 2-PHENYL-2-(o-XYLYLAMINO)-RefChem:3165272-Phenyl-2-(2-methylbenzylamino)acetic acidDTXSID70980941AKOS011389070DB-314260{[(2-METHYLPHENYL)METHYL]AMINO}(PHENYL)ACETIC ACIDBenzeneacetic acid, α-[[(2-methylphenyl)methyl]amino]-
Database identifiers
- CAS
63906-48-9- PubChem CID
- 45157
- DTXSID
DTXSID70980941- Nikkaji
- J86.278I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Boiling point
- 407.5 · 407.5±33.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- pka
- 1.79 · 1.79±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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