ethyl[2-(ethylamino)ethyl]amine

• ChemBase ID: 104983
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: CCNCCNCC
• Canonical SMILES: CCNCCNCC
• InChI: InChI=1S/C6H16N2/c1-3-7-5-6-8-4-2/h7-8H,3-6H2,1-2H3
• InChIKey: CJKRXEBLWJVYJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(ethylamino)ethyl]amine
• IUPAC Traditional name: N,N'-diethylethylenediamine
• Synonyms: N,N'-Diethylethylenediamine; N,N'-DIETHYLETHYLENEDIAMINE; 1,2-bis(ETHYLAMINO)ETHANE; N,N′-Diethylethylenediamine; N,N'-二乙基乙二胺; N,N-二乙基乙二胺

Database IDs

• CAS Number: 111-74-0
• EC Number: 203-902-4
• MDL Number: MFCD00009033
• PubChem SID: 162093324; 24847751
• PubChem CID: 67105

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.5521607
• LogD (pH = 7.4): -2.438908
• Log P: 0.15633403
• Molar Refractivity: 36.915 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 152-154 °C(lit.); 152-154°C
• Flash Point: 33 °C; 33°C(92°F); 91.4 °F
• Density: 0.81 g/ml; 0.811; 0.811 g/mL at 25 °C(lit.)
• Refractive Index: 1.4326; n20/D 1.4326(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2685; UN2685
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45; 20-26-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-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 2685 8/PG 2

Product Information

• Purity: 95%; 96%; 97%
• Linear Formula: CH3CH2NHCH2CH2NHCH2CH3

DETAILS

MP Biomedicals - 05210964

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157968

(N,N′-Diethylethylenediamine)
Purity: 97%
1 ml = approx. 0.81 g

Sigma Aldrich - 126942

Packaging
5, 25 g in glass bottle