Basic information
- CAS
2403-30-7- Standard SMILES
Nc1ccc(C(=O)/C=C/c2ccccc2)cc1- InChIKey
VEKSFLTVXIEEAX-IZZDOVSWSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- (2E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one
- IUPAC
- (E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one
- English name
- (2E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one
- Molecular formula
- C15H13NO
- Molecular weight
- 223.27
Names & synonyms
(2E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-one2403-30-7DTXSID70417747RefChem:206368DTXCID003685961-(4-aminophenyl)-3-phenylprop-2-en-1-one38239-51-9(E)-1-(4-aminophenyl)-3-phenylprop-2-en-1-oneCHEMBL4630172-Propen-1-one, 1-(4-aminophenyl)-3-phenyl-2-Propen-1-one, 1-(4-aminophenyl)-3-phenyl-, (2E)-4'-Aminochalcone
Show more names
1-(4-Aminophenyl)-3-phenyl-2-propen-1-one
(E)-1-(4-aminophenyl)-3-phenyl-prop-2-en-1-oneNSC371orb3136171SCHEMBL29768223NSC-371VEKSFLTVXIEEAX-IZZDOVSWSA-NSTK502160AKOS003743534
Database identifiers
- CAS
2403-30-7- PubChem CID
- 5354071
- DTXSID
DTXSID70417747- ChEMBL
CHEMBL463017- Nikkaji
- J80.476B、J967.138B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 108 °C · 108 °C
- Boiling point
- 424.5 · 424.5±45.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 1.72 · 1.72±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers6 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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