N-methyl-N-phenylaniline

• ChemBase ID: 110918
• Molecular Formular: C13H13N
• Molecular Mass: 183.24902
• Monoisotopic Mass: 183.10479942
• SMILES: CN(c1ccccc1)c1ccccc1
• Canonical SMILES: CN(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
• InChIKey: DYFFAVRFJWYYQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-phenylaniline
• IUPAC Traditional name: diphenyl methylamine
• Synonyms: N-Methyldiphenylamine; N,N-DIPHENYL METHYLAMINE; N-Methyl-N-phenylaniline; N,N-Diphenylmethylamine; N-甲基二苯胺

Database IDs

• CAS Number: 552-82-9
• EC Number: 209-023-2
• MDL Number: MFCD00041900
• Merck Index: 146054
• PubChem SID: 162096501; 24874397
• PubChem CID: 11098

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6367412
• LogD (pH = 7.4): 3.6368463
• Log P: 3.6368477
• Molar Refractivity: 59.4409 cm^3
• Polarizability: 22.985044 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water. Soluble in alcohol, ether
• Boiling Point: 293 °C(lit.); 296-297°C
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Density: 1.05 g/mL at 25 °C(lit.); 1.050
• Refractive Index: 1.6230; n20/D 1.623(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 96%; 98%
• Linear Formula: (C6H5)2NCH3

DETAILS

MP Biomedicals - 05216967

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 524212

Packaging
25 g in glass bottle