N-benzyl-N-ethylaniline

• ChemBase ID: 108424
• Molecular Formular: C15H17N
• Molecular Mass: 211.30218
• Monoisotopic Mass: 211.13609955
• SMILES: CCN(Cc1ccccc1)c1ccccc1
• Canonical SMILES: CCN(c1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C15H17N/c1-2-16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
• InChIKey: HSZCJVZRHXPCIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-ethylaniline
• IUPAC Traditional name: N-benzyl-N-ethylaniline
• Synonyms: N-Ethyl-N-phenylbenzylamine; N-Benzyl-N-ethylaniline; N-BENZYL-N-ETHYLANILINE PRACTICAL GRADE; N-Benzyl-N-ethylaniline; N-benzyl-N-ethyl-N-phenylamine; N-乙基-N-苯基苄胺; N-苄基-N-乙基苯胺

Database IDs

• CAS Number: 92-59-1
• EC Number: 202-169-8
• MDL Number: MFCD00009037
• Beilstein Number: 2099852
• Merck Index: 143769
• PubChem SID: 24846581; 24845425; 162094594
• PubChem CID: 7098

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1338077
• LogD (pH = 7.4): 4.1621966
• Log P: 4.162571
• Molar Refractivity: 69.8478 cm^3
• Polarizability: 26.67922 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 163-164 °C/6 mmHg(lit.); 163-164°C/6mm
• Flash Point: >157°C(315°F); 157 °C; 314.6 °F
• Density: 1.029 g/ml; 1.029 g/mL at 25 °C(lit.); 1.03
• Refractive Index: 1.5950; n20/D 1.595; n20/D 1.595(lit.)
• Hydrophobicity(logP): 4.604

Safety Information

• European Hazard Symbols: Toxic (T); X; Harmful (Xn)
• UN Number: 2274; UN2274
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 21/22; R:25
• Safety Statements: 36/37; S:28-36/37/39-45-53
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312; H302-H312
• GHS Precautionary statements: P280; P280-P302+P352-P322-P301+P312-P312-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2274 6.1/PG 3

Product Information

• Purity: ≥97.0% (NT); 95%; 95+%; 98%; 99%
• Grade: PRACTICAL; technical
• Linear Formula: C6H5N(C2H5)CH2C6H5

DETAILS

MP Biomedicals - 05207306

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 102547

Packaging
100 g in glass bottle