N,N,4-trimethylaniline

• ChemBase ID: 104944
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: CN(C)c1ccc(C)cc1
• Canonical SMILES: Cc1ccc(cc1)N(C)C
• InChI: InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3
• InChIKey: GYVGXEWAOAAJEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,4-trimethylaniline
• IUPAC Traditional name: N,N,4-trimethylaniline
• Synonyms: N,N-Dimethyl-p-toluidine; 4,N,N-Trimethylaniline; 4-Dimethylaminotoluene; N,N-DIMETHYL-p-TOLUIDINE; N,N-Dimethyl-4-methylaniline; N,N,4-Trimethylaniline; N,N-Dimethyl-p-toluidine; 4-二甲氨基甲苯; N,N-二甲基-对甲苯胺; 4,N,N-三甲基苯胺; N,N-二甲基对甲苯胺

Database IDs

• CAS Number: 99-97-8
• EC Number: 202-805-4
• MDL Number: MFCD00008316
• Beilstein Number: 774409
• PubChem SID: 24893566; 162092202; 24866113; 24866082
• PubChem CID: 7471

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3157396
• LogD (pH = 7.4): 2.5898092
• Log P: 2.594711
• Molar Refractivity: 45.5278 cm^3
• Polarizability: 16.954874 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -25°C
• Boiling Point: 210-211°C; 211 °C(lit.); 211°C; 90-92 °C/10 mmHg(lit.)
• Flash Point: 168.8 °F; 76 °C; 83.3°C; 83°C(181°F)
• Density: 0.936 g/mL at 20 °C; 0.937; 0.937 g/mL at 25 °C(lit.); 0.94 g/ml
• Refractive Index: 1.5460; n20/D 1.546(lit.); n20/D 1.547
• Vapor Density: >1 (vs air)

Safety Information

• Storage Condition: 2-8°C
• RTECS: XU5803000
• European Hazard Symbols: Toxic (T)
• UN Number: 2810; UN1708
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; II
• Australian Hazchem: 2X
• Risk Statements: 23/24/25-33-52/53; R:23/24/25-33-52/53
• Safety Statements: 28-36/37-45-61; S:28-45-61-36/37
• EU Classification: T1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• Explode Limits: 7 %
• GHS Hazard statements: H301-H311-H331-H373-H227-H412; H301-H311-H331-H373-H412
• GHS Precautionary statements: P210-P260-P301+P310-P361-P405-P501A; P261-P273-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: ≥98.0% (GC); ≥98.5% (GC); 99%
• Grade: catalyst grade (for peroxide polymerization); purum
• Linear Formula: CH3C6H4N(CH3)2

DETAILS

MP Biomedicals - 02157844

1 ml = approx. 0.94 g

MP Biomedicals - 05212708

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 41690

Caution
may discolor to yellowish-green on storage
Packaging
100, 500 mL in glass bottle

Sigma Aldrich - D189006

Packaging
1 L in glass bottle
100, 500 mL in glass bottle