N,N,2,4,6-pentamethylaniline

• ChemBase ID: 89056
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: N(c1c(cc(cc1C)C)C)(C)C
• Canonical SMILES: Cc1cc(C)c(c(c1)C)N(C)C
• InChI: InChI=1S/C11H17N/c1-8-6-9(2)11(12(4)5)10(3)7-8/h6-7H,1-5H3
• InChIKey: JZBZLRKFJWQZHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,2,4,6-pentamethylaniline
• IUPAC Traditional name: N,N,2,4,6-pentamethylaniline
• Synonyms: N,N,2,4,6-Pentamethylaniline; N,N-Dimethylmesidine; N,N,2,4,6-Pentamethylaniline; 2-Dimethylaminomesitylene; N,N-二甲基米胺; N,N,2,4,6-五甲基苯胺

Database IDs

• CAS Number: 13021-15-3
• MDL Number: MFCD00010596
• PubChem SID: 162075942; 24857127
• PubChem CID: 139365

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1522655
• LogD (pH = 7.4): 3.6110234
• Log P: 3.621554
• Molar Refractivity: 55.6102 cm^3
• Polarizability: 20.486362 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 213-215 °C(lit.); 213-215°C
• Flash Point: 174.2 °F; 78°C(174°F); 79 °C
• Density: 0.907; 0.907 g/mL at 25 °C(lit.)
• Refractive Index: 1.5210; n20/D 1.512(lit.)

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335-H227; H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P210-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (CH3)3C6H2N(CH3)2

DETAILS

Sigma Aldrich - 283711

Packaging
5 g in glass bottle