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

• ChemBase ID: 104742
• Molecular Formular: C6H22Cl4N4
• Molecular Mass: 292.07768
• Monoisotopic Mass: 290.05985744
• SMILES: Cl.Cl.Cl.Cl.NCCNCCNCCN
• Canonical SMILES: NCCNCCNCCN.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C6H18N4.4ClH/c7-1-3-9-5-6-10-4-2-8;;;;/h9-10H,1-8H2;4*1H
• InChIKey: OKHMDSCYUWAQPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)({2-[(2-aminoethyl)amino]ethyl})amine tetrahydrochloride
• IUPAC Traditional name: trien tetrahydrochloride
• Synonyms: TRIETHYLENETETRAMINE TETRAHYDROCHLORIDE; Triethylenetetramine tetrahydrochloride; 三亚乙基四胺 四盐酸盐

Database IDs

• CAS Number: 4961-40-4
• EC Number: 225-604-3
• MDL Number: MFCD00012890
• PubChem SID: 162091935; 24849963
• PubChem CID: 71434

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

• Melting Point: 269-270 °C(lit.)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: KH8587087
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38-40; R:36/37/38
• Safety Statements: 22-26-36; S:20-25-26-37/39
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H351
• GHS Precautionary statements: P261-P281-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~85%; 97%
• Linear Formula: NH2CH2CH2(NHCH2CH2)2NH2 · 4HCl

DETAILS

MP Biomedicals - 02157009

Tetrahydrochloride
Purity: ~85%

Sigma Aldrich - 161969

Application
Spacer in affinity chromatography.
Packaging
25 g in glass bottle