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112-57-2 molecular structure
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(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 and InChIs

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

Cite this record

CBID:112846 http://www.chembase.cn/molecule-112846.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
112-57-2
EC Number
203-986-2
MDL Number
MFCD00008168
Beilstein Number
506966
PubChem SID
24899938
162098354
PubChem CID
8197

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 8197 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -11.474277  LogD (pH = 7.4) -7.797468 
Log P -2.515653  Molar Refractivity 56.0418 cm3
Polarizability 23.113699 Å3 Polar Surface Area 88.13 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
30°C expand Show data source
-40 °C(lit.) expand Show data source
Boiling Point
320°C expand Show data source
340 °C expand Show data source
Flash Point
163 °C expand Show data source
325 °F expand Show data source
325.4 °F expand Show data source
Auto Ignition Point
610 °F expand Show data source
Density
0.998 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.505 expand Show data source
n20/D 1.505(lit.) expand Show data source
Vapor Pressure
<0.01 mmHg ( 20 °C) expand Show data source
Vapor Density
6.53 (vs air) expand Show data source
RTECS
KH8585000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
UN Number
2320 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
21/22-34-43-51/53 expand Show data source
R:21/22-34-43-51/53 expand Show data source
Safety Statements
26-36/37/39-45-61 expand Show data source
S:26-45-61-36/37/39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H312-H314-H317-H411 expand Show data source
GHS Precautionary statements
P273-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2320 8/PG 3 expand Show data source
Purity
~85% (GC) expand Show data source
Grade
CP expand Show data source
technical expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Impurities
residual triethylenetetramine and higher boiling polyamine, residual expand Show data source
Linear Formula
(NH2CH2CH2NHCH2CH2)2NH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - T11509 external link
Packaging
1 kg in glass bottle
100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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