N-(ethoxymethyl)-N-methylaniline

• ChemBase ID: 151313
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: CCOCN(C)c1ccccc1
• Canonical SMILES: CCOCN(c1ccccc1)C
• InChI: InChI=1S/C10H15NO/c1-3-12-9-11(2)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
• InChIKey: GZKDCWKIHYHVNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(ethoxymethyl)-N-methylaniline
• IUPAC Traditional name: N-(ethoxymethyl)-N-methylaniline
• Synonyms: N-(Ethoxymethyl)-N-methylaniline; N-(乙氧基甲基)-N-甲基苯胺

Database IDs

• CAS Number: 207291-40-5
• MDL Number: MFCD00134312
• PubChem SID: 24862628; 162245469
• PubChem CID: 3393781

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.501223
• LogD (pH = 7.4): 2.501223
• Log P: 2.501223
• Molar Refractivity: 51.0882 cm^3
• Polarizability: 19.534477 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-115 °C/10 mmHg(lit.)
• Flash Point: 147.2 °F; 64 °C
• Density: 0.99 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.529(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: 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(CH3)CH2OC2H5

DETAILS

Sigma Aldrich - 366218

Packaging
5, 25 g in glass bottle