N,N-dibenzylaniline

• ChemBase ID: 107488
• Molecular Formular: C20H19N
• Molecular Mass: 273.37156
• Monoisotopic Mass: 273.15174961
• SMILES: C(N(Cc1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C20H19N/c1-4-10-18(11-5-1)16-21(20-14-8-3-9-15-20)17-19-12-6-2-7-13-19/h1-15H,16-17H2
• InChIKey: ISGXOWLMGOPVPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibenzylaniline
• IUPAC Traditional name: N,N-dibenzylaniline
• Synonyms: N-Phenyldibenzylamine; N,N-Dibenzylaniline; N,N-DIBENZYLANILINE; N,N-二苄基苯胺

Database IDs

• CAS Number: 91-73-6
• EC Number: 202-093-5
• MDL Number: MFCD00022015
• PubChem SID: 162089106
• PubChem CID: 66681

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.529103
• LogD (pH = 7.4): 5.5302215
• Log P: 5.530236
• Molar Refractivity: 89.7118 cm^3
• Polarizability: 34.47629 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 69-71°C
• Boiling Point: 180°C/1mm

Safety Information

• European Hazard Symbols: X
• Risk Statements: 21/22
• Safety Statements: 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311
• GHS Precautionary statements: P280-P301+P310-P361-P302+P352-P405-P501A

Product Information

• Purity: 95+%; 99%

DETAILS

MP Biomedicals - 05203947

MP Biomedicals Rare Chemical collection