4-benzoyl-N,N-dimethylaniline

• ChemBase ID: 123326
• Molecular Formular: C15H15NO
• Molecular Mass: 225.2857
• Monoisotopic Mass: 225.11536411
• SMILES: C(=O)(c1ccc(N(C)C)cc1)c1ccccc1
• Canonical SMILES: CN(c1ccc(cc1)C(=O)c1ccccc1)C
• InChI: InChI=1S/C15H15NO/c1-16(2)14-10-8-13(9-11-14)15(17)12-6-4-3-5-7-12/h3-11H,1-2H3
• InChIKey: BEUGBYXJXMVRFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-benzoyl-N,N-dimethylaniline
• IUPAC Traditional name: 4-benzoyl-N,N-dimethylaniline
• Synonyms: (4-(dimethylamino)phenyl)(phenyl)methanone; 4-(Dimethylamino)benzophenone; 4-Dimethylaminobenzophenone; 4-(二甲氨基)二苯甲酮; 4-二甲氨基苯并苯基酮

Database IDs

• CAS Number: 530-44-9
• EC Number: 208-478-4
• MDL Number: MFCD00008311
• Merck Index: 143233
• PubChem SID: 24848947; 162217679
• PubChem CID: 10737

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5370502
• LogD (pH = 7.4): 3.5405972
• Log P: 3.5406427
• Molar Refractivity: 71.0621 cm^3
• Polarizability: 26.835615 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88-90 °C(lit.); 88-90°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: (CH3)2NC6H4COC6H5

DETAILS

Sigma Aldrich - 149349

Packaging
10, 25 g in poly bottle