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

• ChemBase ID: 140282
• Molecular Formular: C8H21N3
• Molecular Mass: 159.27244
• Monoisotopic Mass: 159.17354769
• SMILES: CCN(CC)CCNCCN
• Canonical SMILES: NCCNCCN(CC)CC
• InChI: InChI=1S/C8H21N3/c1-3-11(4-2)8-7-10-6-5-9/h10H,3-9H2,1-2H3
• InChIKey: CEFDTSBDWYXVHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(2-aminoethyl)amino]ethyl}diethylamine
• IUPAC Traditional name: {2-[(2-aminoethyl)amino]ethyl}diethylamine
• Synonyms: N,N-Diethyldiethylenetriamine; N,N-二乙基二乙烯基三胺

Database IDs

• CAS Number: 24426-16-2
• EC Number: 246-242-2
• MDL Number: MFCD00037060
• PubChem SID: 162234526; 24874050
• PubChem CID: 90497

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -6.408389
• LogD (pH = 7.4): -3.9786098
• Log P: -0.25760186
• Molar Refractivity: 50.1595 cm^3
• Polarizability: 20.071333 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 225-230 °C(lit.)
• Flash Point: 203 °F; 95 °C
• Density: 0.865 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.459(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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 2735 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: (C2H5)2NCH2CH2NHCH2CH2NH2

DETAILS

Sigma Aldrich - 518832

Packaging
5 g in glass bottle