(2-aminoethyl)diethylamine

• ChemBase ID: 104910
• Molecular Formular: C6H16N2
• Molecular Mass: 116.20464
• Monoisotopic Mass: 116.13134852
• SMILES: CCN(CC)CCN
• Canonical SMILES: NCCN(CC)CC
• InChI: InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3
• InChIKey: UDGSVBYJWHOHNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)diethylamine
• IUPAC Traditional name: (2-aminoethyl)diethylamine
• Synonyms: 2-Diethylaminoethylamine; N,N-Diethylethylenediamine; N1,N1-diethylethane-1,2-diamine; 1-AMINO-2-DIETHYLAMINOETHANE; 2-(Diethylamino)ethylamine; 2-(DIETHYLAMINO)ETHYLAMINE; 2-二乙氨基乙胺; N,N-二乙基乙二胺

Database IDs

• CAS Number: 100-36-7
• EC Number: 202-844-7
• MDL Number: MFCD00008176
• Beilstein Number: 605299
• PubChem SID: 162092328; 24847111
• PubChem CID: 60993

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -4.7909904
• LogD (pH = 7.4): -2.5116532
• Log P: 0.10680157
• Molar Refractivity: 37.4351 cm^3
• Polarizability: 14.858968 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Physical Property

• Melting Point: <-70°C
• Boiling Point: 145-147 °C(lit.); 145-147°C
• Flash Point: 30°C(86°F); 32 °C; 89.6 °F
• Density: 0.82 g/ml; 0.825; 0.827 g/mL at 25 °C(lit.)
• Refractive Index: 1.4360; n20/D 1.435; n20/D 1.436(lit.)

Safety Information

• Storage Warning: Air Sensitive
• RTECS: KV3500000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: 2685; UN2685
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 10-20/21/22-35; 10-21-34; R:27
• Safety Statements: 26-36/37/39-45; 7-20-26-33-36/37/39-45-60; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H311-H314-H332; H311-H314-H318-H226-H303
• GHS Precautionary statements: P210-P303+P361+P353-P305+P351+P338-P361-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: ≥98.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: (C2H5)2NCH2CH2NH2

DETAILS

MP Biomedicals - 02157678

(N,N-Diethylethylenediamine)
Purity: 99%
1 ml = approx. 0.82 g

MP Biomedicals - 05209388

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 112720

Packaging
5, 100, 500 g in glass bottle