Basic information
- CAS
6318-46-3- Standard SMILES
Nc1ccc(CC(C(=O)O)c2ccccc2)cc1- InChIKey
XONFDEZWKOHVGX-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
- Monoisotopic mass
- 241.11027872
Names & identifiers
- Preferred name
- 3-(4-Aminophenyl)-2-phenylpropanoic acid
- IUPAC
- 3-(4-aminophenyl)-2-phenylpropanoic acid
- English name
- 4-AMino-a-phenyl-benzenepropanoic acid
- Molecular formula
- C15H15NO2
- Molecular weight
- 241.29
Names & synonyms
3-(4-Aminophenyl)-2-phenylpropanoic acid6318-46-3DTXSID00283452RefChem:274353DTXCID202346034-Amino-a-phenyl-benzenepropanoic acidCHEMBL310210MFCD018957913-(4-aminophenyl)-2-phenyl-propanoic acid3-(4-Amino-phenyl)-2-phenyl-propionic acidNSC31626ChemDiv2_002029
Show more names
Benzenepropanoic acid, 4-amino-α-phenyl-
Cambridge id 6973550Oprea1_360688XONFDEZWKOHVGX-UHFFFAOYSA-NHMS1374M05BDBM50145813NSC-31626AKOS0016856123-(4-Aminophenyl)-2-phenylpropanoicacid
Database identifiers
- CAS
6318-46-3- PubChem CID
- 233258
- DTXSID
DTXSID00283452- ChEMBL
CHEMBL310210
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 204 · 204-205 °C
- Boiling point
- 402 · 402.0±30.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.05 · 4.05±0.10(Predicted)
- Appearance
- yellow to brown powder
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers1 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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