2,6-diethylaniline

• ChemBase ID: 103196
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: CCc1cccc(CC)c1N
• Canonical SMILES: CCc1cccc(c1N)CC
• InChI: InChI=1S/C10H15N/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7H,3-4,11H2,1-2H3
• InChIKey: FOYHNROGBXVLLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diethylaniline
• IUPAC Traditional name: 2,6-diethylaniline; DEA
• Synonyms: 2,6-Diethylaniline; 2-Amino-1,3-diethylbenzene; 2,6-DIETHYLANILINE; 2-氨基-1,3-二乙基苯; 2,6-二乙基苯胺

Database IDs

• CAS Number: 579-66-8
• EC Number: 202-088-8; 209-445-7
• MDL Number: MFCD00007753
• Beilstein Number: 1423626
• PubChem SID: 162090632; 24848950; 24862782; 24859196
• PubChem CID: 11369

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.04132
• LogD (pH = 7.4): 3.0600557
• Log P: 3.0602999
• Molar Refractivity: 50.0428 cm^3
• Polarizability: 18.721254 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -38.8 °C
• Boiling Point: 217.1 °C at 1013 hPa; 243 °C(lit.)
• Flash Point: 115 °C; 239 °F; 79 °C (closed cup and DIN 51758)
• Auto Ignition Point: 630°C
• Density: .94 g/cm^3 at 20 °C; 0.906 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.545(lit.); n20/D 1.546
• Vapor Pressure: .2 hPa at 20 °C; 0.02 mmHg ( 20 °C)

Safety Information

• Storage Condition: 0°C
• RTECS: BX3400000; BX3500000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• UN Number: 2432
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 3X
• Risk Statements: 22; R:22; R:23/24/25-33-51/53
• Safety Statements: 23-24; S:23-24; S:28-37-45-61
• EU Classification: T1
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 95+%; 98%
• Grade: PESTANAL®, analytical standard; technical
• Linear Formula: (C2H5)2C6H3NH2

DETAILS

MP Biomedicals - 02150886

mp -38°C
1 ml = approx. 0.93 g
Colorless to yellow liquid

MP Biomedicals - 05201094

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 149381

Packaging
100 mL in glass bottle

Sigma Aldrich - 36765

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH