4-tert-butyl-N,N-dimethylaniline

• ChemBase ID: 73490
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: N(c1ccc(cc1)C(C)(C)C)(C)C
• Canonical SMILES: CN(c1ccc(cc1)C(C)(C)C)C
• InChI: InChI=1S/C12H19N/c1-12(2,3)10-6-8-11(9-7-10)13(4)5/h6-9H,1-5H3
• InChIKey: SJDILFZCXQHCRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-tert-butyl-N,N-dimethylaniline
• IUPAC Traditional name: 4-tert-butyl-N,N-dimethylaniline
• Synonyms: 4-tert-Butyl-N,N-dimethylaniline; 4-tert-Butyl-N,N-dimethylaniline; 4-叔丁基-N,N-二甲基苯胺

Database IDs

• CAS Number: 2909-79-7
• EC Number: 220-824-6
• MDL Number: MFCD00008833
• PubChem SID: 24852598; 162038409
• PubChem CID: 76199

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4269629
• LogD (pH = 7.4): 3.6231704
• Log P: 3.6263459
• Molar Refractivity: 59.1525 cm^3
• Polarizability: 22.493345 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 250-253 °C(lit.); 250-253°C
• Flash Point: 109 °C; 109°C; 228.2 °F
• Density: 0.906; 0.906 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.529(lit.)

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: 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)3CC6H4N(CH3)2

DETAILS

Sigma Aldrich - 209872

Application
An efficient polymerization accelerator.
Packaging
10 g in glass bottle