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

• ChemBase ID: 131525
• Molecular Formular: C8H28Cl5N5
• Molecular Mass: 371.60642
• Monoisotopic Mass: 369.07873432
• SMILES: C(CNCCNCCNCCN)N.Cl.Cl.Cl.Cl.Cl
• Canonical SMILES: NCCNCCNCCNCCN.Cl.Cl.Cl.Cl.Cl
• InChI: InChI=1S/C8H23N5.5ClH/c9-1-3-11-5-7-13-8-6-12-4-2-10;;;;;/h11-13H,1-10H2;5*1H
• InChIKey: VGICAQBLDJAGSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amine pentahydrochloride
• IUPAC Traditional name: tetraethylenepentamine pentahydrochloride
• Synonyms: TEPA; Tetraethylenepentamine pentahydrochloride; TEPA 5HCl; tetraethylenepentamine pentahydrochloride; 四乙烯五胺 五盐酸盐

Database IDs

• CAS Number: 4961-41-5
• MDL Number: MFCD00083503
• PubChem SID: 24900011; 162225803; 24863396
• PubChem CID: 10309252

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 5
• LogD (pH = 5.5): -11.474277
• LogD (pH = 7.4): -7.797468
• Log P: -2.515653
• Molar Refractivity: 56.0418 cm^3
• Polarizability: 23.113699 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 280 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Target: Others

Product Information

• Purity: ≥85% (TLC); 98%
• Salt Data: pentahydrochlor
• Description: non-ionic
• Linear Formula: HN(CH2CH2NHCH2CH2NH2)2·5HCl

DETAILS

Sigma Aldrich - T2033

Preparation Note
根据以下文献中的方法纯化：Ross, J.W. and Frant, M.S., Anal. Chem., 41, 1900 (1969)。

Sigma Aldrich - 375683

Packaging
10, 50 g in poly bottle