[(diethylamino)methyl]diethylamine

• ChemBase ID: 111381
• Molecular Formular: C9H22N2
• Molecular Mass: 158.28438
• Monoisotopic Mass: 158.17829871
• SMILES: CCN(CC)CN(CC)CC
• Canonical SMILES: CCN(CN(CC)CC)CC
• InChI: InChI=1S/C9H22N2/c1-5-10(6-2)9-11(7-3)8-4/h5-9H2,1-4H3
• InChIKey: UNEXJVCWJSHFNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(diethylamino)methyl]diethylamine
• IUPAC Traditional name: [(diethylamino)methyl]diethylamine
• Synonyms: TEMED; Bis(diethylamino)methane; N,N,N',N'-Tetraethylmethylenediamine; N,N,N′,N′-Tetraethylmethanediamine; N,N,N',N'-四乙基甲二胺; N,N,N′,N′-四乙基甲二胺

Database IDs

• CAS Number: 102-53-4
• EC Number: 203-038-8
• MDL Number: MFCD00015115
• PubChem SID: 162097085; 24847768
• PubChem CID: 66020

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.9460337
• LogD (pH = 7.4): 0.9417273
• Log P: 1.7461468
• Molar Refractivity: 51.8111 cm^3
• Polarizability: 20.399456 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 166-169 °C(lit.); 166-169°C
• Flash Point: 107.6 °F; 42 °C; 42°C(108°F)
• Density: 0.811; 0.811 g/mL at 25 °C(lit.)
• Refractive Index: 1.4260; n20/D 1.426(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2734; UN2733
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2; III
• Risk Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45; 7-20-26-33-36/37/39-43-45-60
• 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 2734 8/PG 2

Product Information

• Purity: 97%; 98%
• Linear Formula: (C2H5)2NCH2N(C2H5)2

DETAILS

MP Biomedicals - 05218946

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 127175

包装
10 g in glass bottle