[3-(diethylamino)propyl]diethylamine

• ChemBase ID: 149695
• Molecular Formular: C11H26N2
• Molecular Mass: 186.33754
• Monoisotopic Mass: 186.20959884
• SMILES: CCN(CC)CCCN(CC)CC
• Canonical SMILES: CCN(CCCN(CC)CC)CC
• InChI: InChI=1S/C11H26N2/c1-5-12(6-2)10-9-11-13(7-3)8-4/h5-11H2,1-4H3
• InChIKey: RCZLVPFECJNLMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(diethylamino)propyl]diethylamine
• IUPAC Traditional name: [3-(diethylamino)propyl]diethylamine
• Synonyms: N,N,N′,N′-Tetraethyl-1,3-propanediamine; 1,3-Bis(diethylamino)propane; N,N,N',N'-Tetraethyl-1,3-propanediamine; N,N,N′,N′-四乙基-1,3-丙烷二胺; N,N,N',N'-四乙基-1,3-丙二胺

Database IDs

• CAS Number: 60558-96-5
• MDL Number: MFCD00009057
• Beilstein Number: 1741257
• PubChem SID: 24858654; 162243857
• PubChem CID: 143710

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -4.304757
• LogD (pH = 7.4): -2.0294464
• Log P: 1.6960056
• Molar Refractivity: 61.867 cm^3
• Polarizability: 24.093277 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 133 °C/80 mmHg(lit.); 133°C/80mm
• Flash Point: 168.8 °F; 76 °C; 76°C(168°F)
• Density: 0.81 g/mL at 25 °C(lit.); 0.810
• Refractive Index: 1.4377; n20/D 1.4377(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45; 26-27-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-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 2735 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: (C2H5)2N(CH2)3N(C2H5)2

DETAILS

Sigma Aldrich - 308161

Packaging
5 g in glass bottle