N,2-dimethylaniline

• ChemBase ID: 34830
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: c1(c(C)cccc1)NC
• Canonical SMILES: CNc1ccccc1C
• InChI: InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3
• InChIKey: GUAWMXYQZKVRCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethylaniline
• IUPAC Traditional name: N-methyl-O-toluidine
• Synonyms: N,2-Dimethylaniline; 2,N-Dimethylaniline; 2-Methyl-N-methylaniline; N,2-Dimethylbenzenamine; N,2-Dimethylaniline; N,o-Dimethylaniline; N-(2-Methylphenyl)methylamine; N-Methyl-2-methylaniline; N-Methyl-2-methylbenzenamine; N-Methyl-N-(o-tolyl)amine; N-Methyl-o-methylaniline; o,N-Dimethylaniline; Methyl(o-tolyl)amine; NSC 9395; N-Methyl-o-toluidine; N-甲基-邻甲苯胺

Database IDs

• CAS Number: 611-21-2
• EC Number: 210-260-9
• MDL Number: MFCD00025627
• PubChem SID: 160998137; 24870394
• PubChem CID: 69137

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9052699
• LogD (pH = 7.4): 1.9587193
• Log P: 1.9594454
• Molar Refractivity: 41.293 cm^3
• Polarizability: 15.109564 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 177-204 °C/740 mmHg(lit.)
• Flash Point: 174.2 °F; 79 °C
• Density: 0.981 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/24/25-33-52/53
• Safety Statements: 28-36/37-45-61
• TSCA Listed: false
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331-H373-H412
• GHS Precautionary statements: 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: ≥95%
• Linear Formula: CH3C6H4NHCH3

DETAILS

Sigma Aldrich - 467278

Packaging
25 mL in glass bottle
Application
Reactant for:
• Palladium-catalyzed coupling reactions1
• Palladium-catalyzed amination of bromoindazoles2