bis(2-methoxyethyl)amine

• ChemBase ID: 123404
• Molecular Formular: C6H15NO2
• Molecular Mass: 133.1888
• Monoisotopic Mass: 133.11027873
• SMILES: N(CCOC)CCOC
• Canonical SMILES: COCCNCCOC
• InChI: InChI=1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3
• InChIKey: IBZKBSXREAQDTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-methoxyethyl)amine
• IUPAC Traditional name: bis(2-methoxyethyl)amine
• Synonyms: bis(2-methoxyethyl)amine; Bis(2-methoxyethyl)amine; 双(2-甲氧基乙基)胺

Database IDs

• CAS Number: 111-95-5
• EC Number: 203-923-9
• MDL Number: MFCD00025906
• Beilstein Number: 1736313
• PubChem SID: 162217757; 24891705
• PubChem CID: 2383

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3648722
• LogD (pH = 7.4): -1.9641489
• Log P: -0.2868295
• Molar Refractivity: 36.7804 cm^3
• Polarizability: 14.696601 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-60°C
• Boiling Point: 168-170°C; 170-172 °C(lit.)
• Flash Point: 136.4 °F; 58 °C; 58°C(136°F)
• Density: 0.902 g/mL at 25 °C(lit.); 0.910
• Refractive Index: 1.4200; n20/D 1.419(lit.); n20/D 1.420

Safety Information

• European Hazard Symbols: Corrosive (C); X
• UN Number: 2734; UN2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 21-34; 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H311-H314-H318-H226
• GHS Precautionary statements: P210-P303+P361+P353-P305+P351+P338-P361-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2734 8/PG 2

Product Information

• Purity: ≥99.0% (GC); 98%; 98+%
• Grade: purum
• Linear Formula: (CH3OCH2CH2)2NH

DETAILS

Sigma Aldrich - B48207

Packaging
1 L in glass bottle
250 mL in glass bottle