3-(2-phenyl-1H-imidazol-1-yl)propanoic acid
Basic information
- CAS
53660-14-3- Standard SMILES
O=C(O)CCn1ccnc1-c1ccccc1- InChIKey
ROVVEEAFNMULBJ-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 3-(2-phenyl-1H-imidazol-1-yl)propanoic acid
- IUPAC
- 3-(2-phenylimidazol-1-yl)propanoic acid
- English name
- 3-(2-Phenyl-imidazol-1-yl)-propionic acid
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
53660-14-33-(2-phenyl-1H-imidazol-1-yl)propanoic acid3-(2-Phenyl-imidazol-1-yl)-propionic acid3-(2-phenylimidazol-1-yl)propanoic acidMLS000071948MFCD03043651SMR0000120261H-imidazole-1-propanoic acid, 2-phenyl-1H-Imidazole-1-propanoicacid, 2-phenyl-3-(2-Phenyl-1H-imidazol-1-yl)propanoicacidCambridge id 6720987Oprea1_038311
Show more names
3-(2-phenyl-1-imidazolyl)propanoic acid3-(2-phenyl-3H-imidazol-1-ium-1-yl)propionate3-(2-phenyl-3H-imidazol-1-ium-1-yl)propanoate
Oprea1_416760cid_644448CHEMBL1569996SCHEMBL30775444BDBM40479DTXSID60349386HMS2157L11HMS3316E03
Database identifiers
- CAS
53660-14-3- PubChem CID
- 644448
- DTXSID
DTXSID60349386- ChEMBL
CHEMBL1569996
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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