[2-(diethylamino)ethyl](ethyl)amine

• ChemBase ID: 34794
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: N(CCNCC)(CC)CC
• Canonical SMILES: CCNCCN(CC)CC
• InChI: InChI=1S/C8H20N2/c1-4-9-7-8-10(5-2)6-3/h9H,4-8H2,1-3H3
• InChIKey: HDCAZTXEZQWTIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)ethyl](ethyl)amine
• IUPAC Traditional name: [2-(diethylamino)ethyl](ethyl)amine
• Synonyms: N,N,N'-Triethylethane-1,2-diamine; N,N,N'-TRIETHYLETHYLENEDIAMINE; N,N,N′-Triethylethylenediamine; N,N,N′-三乙基乙二胺

Database IDs

• CAS Number: 105-04-4
• EC Number: 203-264-7
• MDL Number: MFCD00009054
• PubChem SID: 160998101; 24847762
• PubChem CID: 66040

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.8851452
• LogD (pH = 7.4): -1.8356726
• Log P: 0.8961899
• Molar Refractivity: 46.9583 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 54°C; 54-55 °C/13 mmHg(lit.); 54-55/13mm
• Flash Point: 32 °C; 89.6 °F
• Density: 0.804 g/ml; 0.804 g/mL at 25 °C(lit.); 0.8040
• Refractive Index: 1.4311; n20/D 1.4311(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34; R:10-34
• Safety Statements: 16-26-27-36/37/39-45; S:16-26-27/28-36/37/39-46-64
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: 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: 98%
• Linear Formula: (C2H5)2NCH2CH2NHC2H5

DETAILS

Sigma Aldrich - 127116

Packaging
5, 25 g in glass bottle