4-[4-(diethylamino)benzoyl]-N,N-diethylaniline

• ChemBase ID: 78334
• Molecular Formular: C21H28N2O
• Molecular Mass: 324.45982
• Monoisotopic Mass: 324.22016353
• SMILES: O=C(c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC
• Canonical SMILES: CCN(c1ccc(cc1)C(=O)c1ccc(cc1)N(CC)CC)CC
• InChI: InChI=1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3
• InChIKey: VYHBFRJRBHMIQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(diethylamino)benzoyl]-N,N-diethylaniline
• IUPAC Traditional name: 4-[4-(diethylamino)benzoyl]-N,N-diethylaniline
• Synonyms: 4,4-bis(DIETHYLAMINO)BENZOPHENONE; 4,4′-Bis(diethylamino)benzophenone; 4,4'-Bis(diethylamino)benzophenone 98%; Bis(4-(diethylamino)phenyl)methanone; Michler's ethyl ketone; 4,4'-Bis(diethylamino)benzophenone; 4,4′-双(二乙氨基)苯甲酮; 4,4'-二(二乙氨基)苯甲酮

Database IDs

• CAS Number: 90-93-7
• EC Number: 202-025-4
• MDL Number: MFCD00009044
• Beilstein Number: 2148611
• PubChem SID: 24849862; 162043103; 24848803
• PubChem CID: 66663

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.025098
• LogD (pH = 7.4): 5.075259
• Log P: 5.075918
• Molar Refractivity: 104.4851 cm^3
• Polarizability: 39.030415 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 89-92 °C(lit.); 89-95°C; 93-95°C
• Flash Point: 151 °C; 151°C; 151°C(303°F); 303.8 °F

Safety Information

• Storage Warning: Irritant/Light Sensitive; Light Sensitive
• RTECS: OS9545500
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077; UN3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 36/37/38-50/53; 36-51/53
• Safety Statements: 26-60-61; 26-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H400; H319-H411-H401
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P280-P273-P264-P305+P351+P338-P337+P313-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥95% (HPLC); ≥99%; 95+%; 99%
• Grade: technical; technical grade
• Linear Formula: [(C2H5)2NC6H4]2CO

DETAILS

MP Biomedicals - 05223099

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 160326

Packaging
25, 100 g in poly bottle