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

• ChemBase ID: 112846
• Molecular Formular: C8H23N5
• Molecular Mass: 189.30172
• Monoisotopic Mass: 189.19534576
• SMILES: NCCNCCNCCNCCN
• Canonical SMILES: NCCNCCNCCNCCN
• InChI: InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
• InChIKey: FAGUFWYHJQFNRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]amine
• IUPAC Traditional name: tetraethylenepentamine
• Synonyms: TETRAETHYLENEPENTAMINE; TEPA; Tetrene; Tetraethylenepentamine; 四亚乙基五胺; 四乙烯五胺

Database IDs

• CAS Number: 112-57-2
• EC Number: 203-986-2
• MDL Number: MFCD00008168
• Beilstein Number: 506966
• PubChem SID: 24899938; 162098354
• PubChem CID: 8197

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: 30°C; -40 °C(lit.)
• Boiling Point: 320°C; 340 °C
• Flash Point: 163 °C; 325 °F; 325.4 °F
• Auto Ignition Point: 610 °F
• Density: 0.998 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.505; n20/D 1.505(lit.)
• Vapor Pressure: <0.01 mmHg ( 20 °C)
• Vapor Density: 6.53 (vs air)

Safety Information

• RTECS: KH8585000
• European Hazard Symbols: Corrosive (C); Nature polluting (N)
• UN Number: 2320
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 21/22-34-43-51/53; R:21/22-34-43-51/53
• Safety Statements: 26-36/37/39-45-61; S:26-45-61-36/37/39
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H317-H411
• GHS Precautionary statements: 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 2320 8/PG 3

Product Information

• Purity: ~85% (GC)
• Grade: CP; technical; technical grade
• Impurities: residual triethylenetetramine and higher boiling polyamine, residual
• Linear Formula: (NH2CH2CH2NHCH2CH2)2NH

DETAILS

Sigma Aldrich - T11509

Packaging
1 kg in glass bottle
100, 500 g in glass bottle