N,N,3,5-tetramethylaniline

• ChemBase ID: 104686
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: CN(C)c1cc(C)cc(C)c1
• Canonical SMILES: Cc1cc(C)cc(c1)N(C)C
• InChI: InChI=1S/C10H15N/c1-8-5-9(2)7-10(6-8)11(3)4/h5-7H,1-4H3
• InChIKey: NBFRQCOZERNGEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,3,5-tetramethylaniline
• IUPAC Traditional name: N,N,3,5-tetramethylaniline
• Synonyms: N,N-Dimethyl-sym.-xylidene; 5-(Dimethylamino)-m-xylene; 3,5,N,N-Tetramethylaniline; N,N,3,5-TETRAMETHYLANILINE; N,N-Dimethyl-3,5-xylidine; N,N,3,5-Tetramethylaniline; 5-(二甲氨基)间二甲苯; 3,5,N,N-四甲基苯胺; N,N,3,5-四甲基苯胺

Database IDs

• CAS Number: 4913-13-7
• EC Number: 225-539-0
• MDL Number: MFCD00008307
• Beilstein Number: 1933736
• PubChem SID: 162091686; 24850628; 24888958
• PubChem CID: 78625

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8957317
• LogD (pH = 7.4): 3.1046953
• Log P: 3.1081324
• Molar Refractivity: 50.569 cm^3
• Polarizability: 18.72139 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 226-228 °C(lit.); 226-228°C
• Flash Point: 195.8 °F; 90°C(194°F); 91 °C
• Density: 0.91 g/ml; 0.913; 0.913 g/mL at 25 °C(lit.)
• Refractive Index: 1.5440; n20/D 1.544; n20/D 1.544(lit.)

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-33; 20/21/22-33-36/37/38
• Safety Statements: 26-36; 9-36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335-H373; H311-H302-H332-H373-H227
• GHS Precautionary statements: P210-P260-P361-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: ≥97.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: (CH3)2C6H3N(CH3)2

DETAILS

MP Biomedicals - 02156815

1 ml = approx. 0.91 g

Sigma Aldrich - 177342

Packaging
25 g in glass bottle
Application
Catalyst in the polymeric synthesis of glycol methacrylate used as an embedding medium.1