ethane-1,2-diamine

• ChemBase ID: 103242
• Molecular Formular: C2H8N2
• Molecular Mass: 60.09832
• Monoisotopic Mass: 60.06874827
• SMILES: NCCN
• Canonical SMILES: NCCN
• InChI: InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
• InChIKey: PIICEJLVQHRZGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethane-1,2-diamine
• IUPAC Systematic name: Ethane-1,2-diamine
• IUPAC Traditional name: ethylenediamine
• Synonyms: Edamine; Ethylenediamine; 1,2-Diaminoethane; ETHYLENEDIAMINE; ETHYLENEDIAMINE ANHYDROUS, CERTIFIED GRADE; Ethylenediamine solution; 1,2-Ethanediamine; 1,2-二氨基乙烷; 乙二胺; 乙二胺 溶液

Database IDs

• CAS Number: 107-15-3
• EC Number: 203-468-6
• MDL Number: MFCD00008204
• Beilstein Number: 605263; 4123523
• Merck Index: 143795
• PubChem SID: 24854432; 24894477; 24894428; 24845499; 162090553; 24865689; 24849054; 24894420; 24864357
• PubChem CID: 3301
• CHEBI ID: 30347
• CHEMBL: 816
• Chemspider ID: 13835550
• Gmelin ID: 1098
• KEGG ID: D01114
• MeSH Name: ethylenediamine
• Unique Ingredient Identifier: 60V9STC53F
• Wikipedia Title: Ethylenediamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.91292
• LogD (pH = 7.4): -3.7797713
• Log P: -1.4224427
• Molar Refractivity: 17.8686 cm^3
• Polarizability: 7.4730473 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water, alcohol. Slightly soluble in ether
• Apperance: Colorless liquid
• Melting Point: 8 °C; 8°C; 8.5 °C(lit.); 8-11°C
• Boiling Point: 116 °C at 1013 hPa; 116°C; 117-118°C; 118 °C(lit.)
• Flash Point: 100.4 °F; 34 °C; 34°C (93.2°F); 38 °C (DIN 51755); 38 °C; 38°C(100°F); 93.2 °F
• Auto Ignition Point: 385°C (725°F); 400 °C (DIN 51794); 716 °F
• Density: .902 g/cm^3 at 20 °C; 0.899; 0.899 g/mL at 25 °C(lit.); 0.90 g/cm^3^-1
• Refractive Index: 1.4565; n20/D 1.456; n20/D 1.4565(lit.); n20/D 1.457
• Vapor Pressure: 1.3 kPa (at 20 °C); 10 mmHg ( 20 °C); 12 hPa at 20 °C
• Vapor Density: 2.07 (vs air); 2.1 (air = 1)
• Partition Coefficient: -2.057
• Henry Constant: 5.8 mol Pa^-1 kg^-1
• Odor: Ammoniacal
• Heat Capacity: 172.59 J K^-1 mol^-1
• Std enthalpy of combustion: -1.8678–-1.8668 MJ mol^-1
• Std enthalpy of formation: -63.55–-62.47 kJ mol^-1
• Std molar entropy: 202.42 J K^-1 mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C), Store Under Nitrogen
• Storage Warning: Air Sensitive
• RTECS: KH8575000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); X
• UN Number: 1604; UN1604
• German water hazard class: 2
• Hazard Class: 3; 8
• Packing Group: 2; II
• Australian Hazchem: 2W
• Risk Statements: 10-21/22-34-42/43; R:10-21/22-34-42/43-53; R10, R21/22, R34, R42/43
• Safety Statements: 23-26-36/37/39-45; S:23-26-29-45-36/37/39; S:23-26-29-45-36/37/39-45; S1/2, S26, S36/37/39, S45
• EU Classification: CF1
• EU Hazard Identification Number: 8A
• Emergency Response Guidebook(ERG) Number: 132
• TSCA Listed: 是
• EU Index: 612-006-00-6
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS flame; GHS health hazard; GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  3

  3

  0
• LD50: 1.2 g kg^-1 (oral, rat)
• Explode Limits: 16 %; 2.7–16%
• GHS Hazard statements: 226, 302, 312, 314, 317, 334; H226-H302-H312-H314-H317-H334; H226-H302-H312-H315-H317-H318-H334; H334-H317-H314-H226-H302-H312
• GHS Precautionary statements: 261, 280, 305+351+338, 310; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P310; P261-P280-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1604 8/PG 2

Pharmacology Properties

• Gene Information: human ... FNTA(2339)

Product Information

• Purity: ≥99%; ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.8% (GC); 75-80%; 99%
• Grade: absolute; analytical standard; for GC; puriss. p.a.; purum; ReagentPlus®; SAJ special grade; technical
• Suitability: meets USP testing specifications
• Ignition Residue: ≤0.1%
• Evaporation Residue: ≤0.05%
• Impurities: ≤0.0005% Phosphorus (P); ≤0.5% water; ≤1% water
• Cation Traces: Al: ≤0.0005%; Ca: ≤0.0005%; Ca: ≤5 mg/kg; Cd: ≤1 mg/kg; Co: ≤1 mg/kg; Cr: ≤1 mg/kg; Cu: ≤0.0005%; Cu: ≤1 mg/kg; Fe: ≤0.0005%; Fe: ≤1 mg/kg; K: ≤0.005%; K: ≤20 mg/kg; Mg: ≤0.0005%; Mg: ≤1 mg/kg; Mn: ≤1 mg/kg; Na: ≤0.005%; Na: ≤20 mg/kg; NH4+: ≤0.05%; Ni: ≤1 mg/kg; Pb: ≤0.001%; Pb: ≤1 mg/kg; Zn: ≤0.0005%; Zn: ≤1 mg/kg
• Antion Traces: chloride (Cl-): ≤0.05%; sulfate (SO42-): ≤0.05%
• Shelf Life: (limited shelf life, expiry date on the label)
• Purified By: redistillation
• Product Line: BioXtra
• Linear Formula: NH2CH2CH2NH2

DETAILS

MP Biomedicals - 02151087

(1,2-Diaminoethane) Free Base Purity: 99% 1 ml = approx. 0.9 g

Sigma Aldrich - E1521

Packaging
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 15068

Packaging
1 L in glass bottle

Sigma Aldrich - 391085

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - E1649

Packaging
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 240729

Packaging
5, 500 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - E26266

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

REFERENCES

• The ethylenediamine complex of Cr²⁺ reduces aryl bromides to the hydrocarbons. For an example, see: Org. Synth. Coll., 6, 821 (1988).
• The Li derivative in excess amine is a strong base for the rearrangement of primary allylic alcohols to the isomeric aldehydes in high yield: J. Chem. Soc., Chem. Commun., 812 (1985).
• At high temperatures, reduces nitroarenes to azo-compounds. Reaction does not occur for nitro-compounds with o-substituents or p-amino-substituents: J. Org. Chem., 49, 1215 (1984).