N,N-dimethyl-2,6-bis(propan-2-yl)aniline

• ChemBase ID: 146033
• Molecular Formular: C14H23N
• Molecular Mass: 205.33912
• Monoisotopic Mass: 205.18304974
• SMILES: CC(C)c1cccc(c1N(C)C)C(C)C
• Canonical SMILES: CN(c1c(cccc1C(C)C)C(C)C)C
• InChI: InChI=1S/C14H23N/c1-10(2)12-8-7-9-13(11(3)4)14(12)15(5)6/h7-11H,1-6H3
• InChIKey: ALXIOUGHHXXLKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2,6-bis(propan-2-yl)aniline
• IUPAC Traditional name: 2,6-diisopropyl-N,N-dimethylaniline
• Synonyms: 2,6-Diisopropyl-N,N-dimethylaniline; 2,6-二异丙基-N,N-二甲基苯胺

Database IDs

• CAS Number: 2909-77-5
• MDL Number: MFCD00144978
• PubChem SID: 24865198; 162240232; 24879138
• PubChem CID: 76198

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.437074
• LogD (pH = 7.4): 4.5693316
• Log P: 4.571308
• Molar Refractivity: 68.8682 cm^3
• Polarizability: 26.106165 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 86 °C/2.5 mmHg(lit.); 86°C/2.5mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 0.873; 0.873 g/mL at 25 °C(lit.)
• Refractive Index: 1.5005; n20/D 1.5(lit.)

Safety Information

• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/38; 36/37/38
• Safety Statements: 26-36; 9-26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H331-H302-H312-H315-H319
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: >90%; 96%
• Linear Formula: [(CH3)2CH]2C6H3N(CH3)2

DETAILS

Sigma Aldrich - 550698

Packaging
100 g in glass bottle

Sigma Aldrich - 403520

Packaging
1 g in glass bottle