2-[(2,4,6-Trimethylbenzoyl)amino]acetic acid
Basic information
- CAS
718625-31-1- Standard SMILES
Cc1cc(C)c(C(=O)NCC(=O)O)c(C)c1- InChIKey
CXYAGLHFXXKLBS-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 2-[(2,4,6-Trimethylbenzoyl)amino]acetic acid
- IUPAC
- 2-[(2,4,6-trimethylbenzoyl)amino]acetic acid
- English name
- (2,4,6-Trimethyl-benzoylamino)-acetic acid
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
718625-31-1(2,4,6-Trimethyl-benzoylamino)-acetic acid(2,4,6-Trimethylbenzoyl)glycine2-[(2,4,6-trimethylbenzoyl)amino]acetic acid2-[(2,4,6-trimethylphenyl)formamido]acetic acidMFCD00453031CBDivE_0147192-(2,4,6-Trimethylbenzamido)acetic Acid[(mesitylcarbonyl)amino]acetic acidAKOS000154911ST030885SY400508
Show more names
Glycine, N-(2,4,6-trimethylbenzoyl)-
H28336A1-076222-[(2,4,6-trimethylphenyl)carbonylamino]acetic acid
Database identifiers
- CAS
718625-31-1- PubChem CID
- 728032
- EC Number
- 104-733-8
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 375.8 · 375.8±42.0 °C(Predicted)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- pka
- 3.72 · 3.72±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…