2-[(2-aminoethyl)amino]ethan-1-ol

• ChemBase ID: 104860
• Molecular Formular: C4H12N2O
• Molecular Mass: 104.15088
• Monoisotopic Mass: 104.09496301
• SMILES: NCCNCCO
• Canonical SMILES: NCCNCCO
• InChI: InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2
• InChIKey: LHIJANUOQQMGNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-aminoethyl)amino]ethan-1-ol
• IUPAC Traditional name: aminoethylethanolamine
• Synonyms: 2-(2-Aminoethylamino)ethanol; N-(2-Aminoethyl)ethanolamine; N-(2-Hydroxyethyl)ethylenediamine; Aminoethylethanolamine; 2-[2-Aminoethylamino]ethanol; N-(2-HYDROXYETHYL) ETHYLENEDIAMINE; 2-((2-aminoethyl)amino)ethanol; N-(2-氨基乙基)乙醇胺; 氨基乙基乙醇胺; 羟乙基乙二胺; N-(2-羟乙基)乙二胺

Database IDs

• CAS Number: 111-41-1
• EC Number: 203-867-5
• MDL Number: MFCD00008170
• Beilstein Number: 506012
• PubChem SID: 162092190; 24847789
• PubChem CID: 8112
• Chemspider ID: 7821
• Wikipedia Title: Aminoethylethanolamine

CALCULATED PROPERTIES

• Acid pKa: 15.602137
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -6.278365
• LogD (pH = 7.4): -4.0644207
• Log P: -1.6799643
• Molar Refractivity: 28.9355 cm^3
• Polarizability: 11.770213 Å^3
• Polar Surface Area: 58.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: < -18 °C; -28 °C; -28°C
• Boiling Point: 237 - 243 °C; 238-240 °C/752 mmHg(lit.); 238-240°C; 243 °C
• Flash Point: 125°C(257°F); 132 °C; 144 °C (DIN 51758); 144 °C; 291.2 °F
• Auto Ignition Point: 345 °C (DIN 51794); 368 °C
• Density: 1.029; 1.03 g/cm3; 1.03 g/mL at 25 °C(lit.); ca. 1.03 g/cm^3 at 20 °C
• Refractive Index: 1.4861; n20/D 1.485; n20/D 1.485(lit.)
• Vapor Pressure: 0.01 mmHg @ 20°C ; 8.17x10^-4mmHg @ 25°C; Less than 0.01 mm Hg at 20 °C, 8.19 x 10-4 mm Hg at 25 °C
• Vapor Density: 3.59 (air = 1); 3.6 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive & Hygroscopic
• RTECS: KJ6300000
• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T)
• UN Number: 1987; 2735; UN2735
• German water hazard class: 1
• Hazard Class: 3; 8
• Packing Group: 2; II; III
• Australian Hazchem: 3YE
• Risk Statements: 34-43; 61-62-34-43; R:10-34
• Safety Statements: 26-36/37/39-45; 53-45; S:16-26-27/28-36/37/39-46-64
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 127
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  1

  2

  0
• GHS Hazard statements: H314-H317-H360; H360-H314-H318-H317-H303-H313
• GHS Precautionary statements: P201-P280-P305 + P351 + P338-P310; P201-P303+P361+P353-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: ≥97.0% (NT); 99%
• Grade: technical
• Linear Formula: NH2CH2CH2NHCH2CH2OH

DETAILS

MP Biomedicals - 02157442

1 ml = approx. 1.03 g

Sigma Aldrich - 127582

Packaging
1, 2 kg in glass bottle
100 g in glass bottle