(2-aminoethyl)({2-[(2-aminoethyl)amino]ethyl})amine

• ChemBase ID: 103570
• Molecular Formular: C6H18N4
• Molecular Mass: 146.23392
• Monoisotopic Mass: 146.1531466
• SMILES: NCCNCCNCCN
• Canonical SMILES: NCCNCCNCCN
• InChI: InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
• InChIKey: VILCJCGEZXAXTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)({2-[(2-aminoethyl)amino]ethyl})amine
• IUPAC Traditional name: trien
• Synonyms: DEH 24; EPH 925; Triethylenetetramine; N,N'-Bis(2-aminoethyl)ethane-1,2-diamine; TETA; HY951; DEH24; Araldite Hardener HY 951; 1,4,7,10-Tetra-Azadecane; TRIETHYLENETETRAMINE; 三亚乙基四胺

Database IDs

• CAS Number: 112-24-3
• EC Number: 203-950-6
• MDL Number: MFCD00008169
• Beilstein Number: 605448
• Merck Index: 149663
• PubChem SID: 24889370; 162103301; 24889371; 24847546
• PubChem CID: 5565
• CHEBI ID: 39501
• CHEMBL: 609
• Chemspider ID: 21106175
• Gmelin ID: 27008
• KEGG ID: C07166
• MeSH Name: Trientine
• Unique Ingredient Identifier: SJ76Y07H5F
• Wikipedia Title: Triethylenetetramine

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -9.501732
• LogD (pH = 7.4): -6.2998686
• Log P: -2.1512494
• Molar Refractivity: 43.3174 cm^3
• Polarizability: 17.900114 Å^3
• Polar Surface Area: 76.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: Colourless liquid
• Melting Point: 12 °C; 12 °C(lit.); -34.65°C (238.5K); ca -35°C
• Boiling Point: 266 - 267 °C; 266.55°C (539.7K); 266-267 °C(lit.); ca 267°C
• Flash Point: 122°C(252°F); 129 °C; 264.2 °F; ca. 129 °C (DIN 51758)
• Auto Ignition Point: Varies composition: 294 °C (561 °F); 335 °C (635 °F); 338 °C (640 °F)
• Density: .9739 g/cm^3 at 20 °C; 0.982; 0.982 g/mL at 25 °C(lit.); 982 mg mL^-1
• Refractive Index: 1.496; 1.4980; n20/D 1.496(lit.); n20/D 1.498
• Vapor Pressure: .013 hPa at 20 °C; <0.01 mmHg ( 20 °C); <1 Pa (at 20 °C)
• Vapor Density: ~5 (vs air); 5.1 (air = 1)
• Partition Coefficient: 1.985
• Odor: Ichtyal, ammoniacal
• Heat Capacity: 376 J K^-1 mol^-1 (at 60 °C)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: YE6650000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2259; UN2259
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 21-34-43-52/53; R:21-34-43-52/53; r21, r34, r43, r52/53
• Safety Statements: 1/2-26-36/37/39-45-61; 26-36/37/39-45-61; S:26-45-61-36/37/39; s1/2, s26, s36/37/39, s45
• EU Classification: C9
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• EU Index: 612-059-00-5
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS05; GHS07
• GHS Signal Word: DANGER; Danger
• LD50: 2.5 g kg^-1 (oral, rat); 550 mg kg^-1 (dermal, rabbit)
• GHS Hazard statements: 312, 314, 317, 412; H312-H314-H317-H412; H314-H312-H317-H412
• GHS Precautionary statements: 273, 280, 305+351+338, 310; P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P273-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 2259 8/PG 2

Pharmacology Properties

• Gene Information: human ... TERT(7015)

Product Information

• Purity: ~70% (GC); ≥97.0% (T); 60%; tech. 60%, balance branched and cyclic triethylenetetramines
• Grade: technical; technical grade
• Linear Formula: NH2CH2CH2(NHCH2CH2)2NH2

DETAILS

MP Biomedicals - 02152164

Free Base
Used to catalyze the hydrolysis of N-terminal peptide bonds, by creating chelation between enzyme, substrate, and metal ion.

Sigma Aldrich - 132098

Packaging
1, 2 kg in glass bottle
18 kg in VerSA-Flow™
5, 100, 500 g in glass bottle

Sigma Aldrich - 90460

Packaging
10, 50 mL in glass bottle

REFERENCES

• J. Am. Chem. Soc., 85: 3039, (1963).