CAS 616227-75-9 N-(3-Hydroxyphenyl)Cinnamamide (HCID 178791827)

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Basic information

CAS: 616227-75-9
Standard SMILES: O=C(/C=C/c1ccccc1)Nc1cccc(O)c1
InChIKey: IIFFDQOHESPFOL-MDZDMXLPSA-N
Molecular formula: C15H13NO2
Average molar mass: 239.27 g/mol

Names & identifiers

Preferred name: N-(3-Hydroxyphenyl)Cinnamamide
IUPAC: (E)-N-(3-hydroxyphenyl)-3-phenylprop-2-enamide
English name: Brexpiprazole Impurity 19
Molecular formula: C15H13NO2
Molecular weight: 239.27

Names & synonyms

N-(3-Hydroxyphenyl)Cinnamamide23478-25-3616227-75-9MFCD00522625(E)-N-(3-hydroxyphenyl)-3-phenylprop-2-enamide(2E)-N-(3-hydroxyphenyl)-3-phenylprop-2-enamideCHEMBL23363542-Propenamide, N-(3-hydroxyphenyl)-3-phenyl-(E)-N-(3-Hydroxyphenyl)cinnamamiden-(3-hydroxyphenyl)-3-phenylacrylamideBrexpiprazole Impurity 20(2E)-N-(3-hydroxyphenyl)-3-phenyl-2-propenamide

Show more names

Brexpiprazole Impurity 292-Propenamide, N-(3-hydroxyphenyl)-3-phenyl-, (2E)-Brexpiprazole Impurity26 N-(3-hydroxyphenyl)cinnamamide

SCHEMBL9990629BDBM50429774AKOS002263647AKOS023871804DS-8866EBC-609403SDCCGSBI-0660781.P001CS-0149664

Database identifiers

CAS: 616227-75-9
ChEMBL: CHEMBL2336354
Nikkaji: J31.020D

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 295

Physicochemical properties

Boiling point: 493 · 493.0±45.0 °C(Predicted)
Density: 1.26 · 1.260±0.06 g/cm3(Predicted)
pka: 9.53 · 9.53±0.10(Predicted)

Chemistry & industry

Suppliers25 total

济南百隆化学有限公司[email protected] · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

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Compound notes

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