2-(m-Aminobenzyl)butyric acid
Basic information
- CAS
16623-25-9- Standard SMILES
CCC(Cc1cccc(N)c1)C(=O)O- InChIKey
ZRRVWPUAOKIETO-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- 2-(m-Aminobenzyl)butyric acid
- IUPAC
- 2-[(3-aminophenyl)methyl]butanoic acid
- English name
- 2-(m-aminobenzyl)butyric acid
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.25
Names & synonyms
16623-25-92-[(3-aminophenyl)methyl]butanoic acid2-(m-Aminobenzyl)butyric acid2-(3-aminobenzyl)butanoic acidEINECS 240-671-9Trimebutine Impurity 24SCHEMBL1068216DTXSID10937176ZRRVWPUAOKIETO-UHFFFAOYSA-NMFCD11168309NS000527323-Amino-α-ethylbenzenepropionic acid
Show more names
Benzenepropanoic acid, 3-amino-α-ethyl-A-(3-AMINOBENYL)BUTYRIC ACID HYDROCHLORIDEα-(3-Aminobenzyl)butyric acid hydrochloride3-Amino-ethylbenzenepropanoica acid hydrochloride
Database identifiers
- CAS
16623-25-9- PubChem CID
- 83986
- DTXSID
DTXSID10937176- EC Number
- 240-671-9
- Nikkaji
- J318.264I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Physicochemical properties
- Melting point
- 78 · 78-80 °C
- Boiling point
- 367.1 · 367.1±17.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- pka
- 4.75 · 4.75±0.10(Predicted)
Chemistry & industry
Applications
UsesUsed as Intermediates of iopanoic acid.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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