(2-{[2-(diethylamino)ethyl]amino}ethyl)diethylamine

• ChemBase ID: 108771
• Molecular Formular: C12H29N3
• Molecular Mass: 215.37876
• Monoisotopic Mass: 215.23614794
• SMILES: CCN(CC)CCNCCN(CC)CC
• Canonical SMILES: CCN(CCNCCN(CC)CC)CC
• InChI: InChI=1S/C12H29N3/c1-5-14(6-2)11-9-13-10-12-15(7-3)8-4/h13H,5-12H2,1-4H3
• InChIKey: UICCSKORMGVRCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{[2-(diethylamino)ethyl]amino}ethyl)diethylamine
• IUPAC Traditional name: (2-{[2-(diethylamino)ethyl]amino}ethyl)diethylamine
• Synonyms: N,N,N',N'-TETRAETHYL-DIETHYLENETRIAMINE; N,N,N′,N′-Tetraethyldiethylenetriamine; N,N,N′,N′-四乙基二乙烯三胺

Database IDs

• CAS Number: 123-12-6
• EC Number: 204-603-1
• MDL Number: MFCD00039880
• PubChem SID: 162094498; 24866550
• PubChem CID: 67154

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.9692774
• LogD (pH = 7.4): -2.285628
• Log P: 1.2716424
• Molar Refractivity: 69.726 cm^3
• Polarizability: 27.457893 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130-135 °C(lit.)
• Flash Point: 208.4 °F; 98 °C
• Density: 0.835 g/ml; 0.837 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.448(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: 90%
• Grade: technical grade
• Linear Formula: [(C2H5)2NCH2CH2]2NH

DETAILS

MP Biomedicals - 05208658

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 424072

Packaging
5, 25 mL in glass bottle