bis(2-aminoethyl)amine

• ChemBase ID: 102970
• Molecular Formular: C4H13N3
• Molecular Mass: 103.16612
• Monoisotopic Mass: 103.11094743
• SMILES: NCCNCCN
• Canonical SMILES: NCCNCCN
• InChI: InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2
• InChIKey: RPNUMPOLZDHAAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-aminoethyl)amine
• IUPAC Traditional name: diethylenetriamine
• Synonyms: N-(2-Aminoethyl)-1,2-ethanediamine; 2,2'-Diaminodiethylamine; 2,2'-Iminodiethylamine; Bis(2-aminoethyl)amine; DIETHYLENETRIAMINE; 2,2′-Diaminodiethylamine; 2,2′-Iminodiethylamine; N1-(2-aminoethyl)ethane-1,2-diamine; Diethylenetriamine; 2,2ˊ-二氨基二乙基胺; 2,2ˊ-亚胺基双(乙胺); 二(2-氨乙基)胺; 二亚乙基三胺

Database IDs

• CAS Number: 111-40-0
• EC Number: 203-865-4
• MDL Number: MFCD00008171
• Beilstein Number: 605314
• PubChem SID: 162090309; 24894288
• PubChem CID: 8111
• CHEBI ID: 30629
• CHEMBL: 303429
• Chemspider ID: 13835401
• Gmelin ID: 2392
• MeSH Name: diethylenetriamine
• Unique Ingredient Identifier: 03K6SX4V2J
• Wikipedia Title: Diethylenetriamine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -7.942084
• LogD (pH = 7.4): -5.670039
• Log P: -1.786846
• Molar Refractivity: 30.593 cm^3
• Polarizability: 12.686549 Å^3
• Polar Surface Area: 64.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless liquid
• Melting Point: -35 °C(lit.); -39 °C; -39.00°C (234.15K); -40°C
• Boiling Point: 199-209 °C(lit.); 200-204°C; 204.05°C (477.2K); 207 °C at 1010 hPa
• Flash Point: 102 °C; 215.6 °F; 216 °F; 94°C(201°F); 97 °C (closed cup)
• Auto Ignition Point: 325 °C hPa (DIN 51794); 358 °C; 676 °F
• Density: .95 g/cm^3 at 20 °C; 0.952; 0.955 g/mL at 25 °C(lit.); 955 mg mL^-1
• Refractive Index: 1.4830; 1.484; n20/D 1.484; n20/D 1.484(lit.)
• Vapor Pressure: 0.08 mmHg ( 20 °C); 0.37 mm Hg at 20 °C; 10 Pa (at 20 °C)
• Vapor Density: 3.56 (air = 1); 3.6 (vs air)
• Partition Coefficient: -1.73
• Odor: Ichtyal, ammoniacal
• Heat Capacity: 254 J K^-1 mol^-1 (at 40 °C)
• Std enthalpy of combustion: -3367.2–-3366.2 kJ mol^-1
• Std enthalpy of formation: -65.7–-64.7 kJ mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C), Store Under Nitrogen
• Storage Warning: Air Sensitive
• RTECS: IE1225000
• European Hazard Symbols: Corrosive (C); Highly toxic (T+); X
• UN Number: 2079; UN2079
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 21/22-26-34-37-43; 21/22-34-43; R:21/22-34-43; r21/22, r34, r43
• Safety Statements: 26-36/37/39-45; 28-36/37/39-45; S:26-45-36/37/39; s1/2, s26, s36/37/39
• EU Classification: C9
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• EU Index: 612-058-00-X
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS05; GHS06; GHS07
• GHS Signal Word: DANGER; Danger
• Explode Limits: 2–6.7%; 6.7 %
• GHS Hazard statements: 302, , 312, 314, 317; H302 + H312-H314-H317-H330-H335; H302-H312-H314-H317; H314-H302-H312-H317
• GHS Precautionary statements: 280, 305+351+338, 310; P260-P280-P284-P305 + P351 + P338-P310; P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-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 2079 8/PG 2

Product Information

• Purity: ≥99%; ≥97.0% (GC); ≥98% (GC); ≥98.0%; ≥99% (GC); 99%
• Grade: purum; ReagentPlus®; SAJ first grade
• Impurities: ≤0.5% water (Karl Fischer)
• Linear Formula: (NH2CH2CH2)2NH

DETAILS

MP Biomedicals - 02150119

Colorless liquid
Purity: 99% min.

Sigma Aldrich - D93856

Packaging
1, 2, 2.5 L in glass bottle
18 L in VerSA-Flow™
5, 100 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC