N,N-dibutylaniline

• ChemBase ID: 107815
• Molecular Formular: C14H23N
• Molecular Mass: 205.33912
• Monoisotopic Mass: 205.18304974
• SMILES: CCCCN(CCCC)c1ccccc1
• Canonical SMILES: CCCCN(c1ccccc1)CCCC
• InChI: InChI=1S/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
• InChIKey: FZPXKEPZZOEPGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibutylaniline
• IUPAC Traditional name: benzenamine, N,N-dibutyl-
• Synonyms: N,N-Dibutylaniline; N,N-Dibutylaniline; N,N-DI-n-BUTYLANILINE; N,N-二丁基苯胺

Database IDs

• CAS Number: 613-29-6
• EC Number: 210-335-6
• MDL Number: MFCD00035799
• Beilstein Number: 2210422
• PubChem SID: 162093714; 24858371
• PubChem CID: 61154

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.000796
• LogD (pH = 7.4): 4.7058535
• Log P: 4.729088
• Molar Refractivity: 68.2338 cm^3
• Polarizability: 26.272202 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 269-270 °C(lit.); 269-270°C
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 0.906; 0.906 g/mL at 25 °C(lit.)
• Refractive Index: 1.5180; n20/D 1.518(lit.)

Safety Information

• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2810
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22; 36/37/38; R:36/37/38
• Safety Statements: 26-36/37/39; 36/37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H331-H302-H312
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Linear Formula: C6H5N[(CH2)3CH3]2

DETAILS

MP Biomedicals - 05205107

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 304468

Packaging
5, 25 g in glass bottle