diethyl(methyl)amine

• ChemBase ID: 146293
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: CCN(C)CC
• Canonical SMILES: CCN(CC)C
• InChI: InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3
• InChIKey: GNVRJGIVDSQCOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(methyl)amine
• IUPAC Traditional name: ethanamine, N-ethyl-N-methyl-
• Synonyms: N-Methyldiethylamine; N,N-Diethylmethylamine; N-甲基二乙胺; N,N-二乙基甲胺

Database IDs

• CAS Number: 616-39-7
• EC Number: 210-480-5
• MDL Number: MFCD00009049
• Beilstein Number: 1730930
• PubChem SID: 162240491; 24894115
• PubChem CID: 12022

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.5535223
• LogD (pH = 7.4): -1.6215144
• Log P: 0.90378535
• Molar Refractivity: 29.4853 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 63-65 °C(lit.)
• Flash Point: -11.2 °F; -24 °C
• Density: 0.72 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.389(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/22-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H314-H332
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2733 3/PG 2

Product Information

• Purity: 97%
• Linear Formula: CH3N(C2H5)2

DETAILS

Sigma Aldrich - D98203

Packaging
25, 100 g in glass bottle