CAS 69433-27-8 1-[4-(Morpholin-4-yl)phenyl]-2-phenylethanone (HCID 269696)

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Basic information

CAS: 69433-27-8
Standard SMILES: O=C(Cc1ccccc1)c1ccc(N2CCOCC2)cc1
InChIKey: YZRCTUCUGYQYOS-UHFFFAOYSA-N
Molecular formula: C18H19NO2
Average molar mass: 281.3 g/mol
Monoisotopic mass: 281.14157885

Names & identifiers

Preferred name: 1-[4-(Morpholin-4-yl)phenyl]-2-phenylethanone
IUPAC: 1-(4-morpholin-4-ylphenyl)-2-phenylethanone
English name: 4'-Morpholinodeoxybenzoin
Molecular formula: C18H19NO2
Molecular weight: 281.35

Names & synonyms

69433-27-81-[4-(morpholin-4-yl)phenyl]-2-phenylethanoneEthanone,1-[4-(4-morpholinyl)phenyl]-2-phenyl-1-[4-(morpholin-4-yl)phenyl]-2-phenylethan-1-oneMLS0027042651-(4-morpholin-4-ylphenyl)-2-phenylethanoneNSC1111691-(4-morpholinophenyl)-2-phenylethanoneSCHEMBL50144CHEMBL1726577DTXSID70296716YZRCTUCUGYQYOS-UHFFFAOYSA-N

Show more names

4'-Morpholinodeoxybenzoin4'-Morpholinodeoxybenzoin

AKOS024323382NSC-111169SMR001570968DS-0076191-[4-(4-morpholinyl)phenyl]-2-phenylethanone

Database identifiers

CAS: 69433-27-8
PubChem CID: 269696
DTXSID: DTXSID70296716
ChEMBL: CHEMBL1726577

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 324

Physicochemical properties

Melting point: 138 · 138-139 °C
Boiling point: 479.719 · 479.719±45.00 °C(Press: 760.00 Torr)(predicted)
Density: 1.148 · 1.148±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 4.589 · 4.589±0.10(predicted)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 400 · H400-H315-H335
Precautionary statements: 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS09
Hazard statements: H400-H315-H335
Precautionary statements: P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362