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4097-89-6 molecular structure
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tris(2-aminoethyl)amine

ChemBase ID: 130032
Molecular Formular: C6H18N4
Molecular Mass: 146.23392
Monoisotopic Mass: 146.1531466
SMILES and InChIs

SMILES:
NCCN(CCN)CCN
Canonical SMILES:
NCCN(CCN)CCN
InChI:
InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2
InChIKey:
MBYLVOKEDDQJDY-UHFFFAOYSA-N

Cite this record

CBID:130032 http://www.chembase.cn/molecule-130032.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(2-aminoethyl)amine
IUPAC Traditional name
tren
Synonyms
TAEA
Tris(2-aminoethyl)amine
2,2',2''-Triaminotriethylamine
Tris(2-aminoethyl)amine
2,2′,2′′-Nitrilotriethylamine
2,2′,2′′-Triaminotriethylamine
N,N-二(2-氨乙基)-1,2-乙二胺
三(2-氨乙基)胺
三(2-氨基乙基)胺
三(2-氨乙基)胺
CAS Number
4097-89-6
EC Number
223-857-4
MDL Number
MFCD00008177
Beilstein Number
1739626
PubChem SID
162224317
24858349
24853509
PubChem CID
77731
CHEBI ID
30631
CHEMBL
19823
Chemspider ID
70131
Gmelin ID
27074
MeSH Name
tris(2-aminoethyl)amine
Wikipedia Title
Tris(2-aminoethyl)amine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -11.123083  LogD (pH = 7.4) -8.013978 
Log P -2.200782  Molar Refractivity 43.8375 cm3
Polarizability 17.900114 Å3 Polar Surface Area 81.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Miscible in water expand Show data source
Apperance
Colourless liquid expand Show data source
Melting Point
-16°C expand Show data source
Boiling Point
102°C/0.05mm expand Show data source
114 °C/15 mmHg(lit.) expand Show data source
265°C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.976 g/mL at 20 °C(lit.) expand Show data source
0.978 expand Show data source
977 mg mL-1 expand Show data source
Refractive Index
1.4969 expand Show data source
1.497 expand Show data source
n20/D 1.497(lit.) expand Show data source
Vapor Pressure
0.02 mmHg ( 20 °C) expand Show data source
3 Pa (at 20 °C) expand Show data source
Vapor Density
5 (vs air) expand Show data source
Partition Coefficient
-2.664 expand Show data source
Odor
Ichtyal, ammoniacal expand Show data source
Std enthalpy of combustion
-4860.6–-4859.2 kJ mol-1 expand Show data source
Std enthalpy of formation
-74.3–-72.9 kJ mol-1 expand Show data source
Storage Warning
Air Sensitive & Hygroscopic expand Show data source
RTECS
KH8587082 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2922 expand Show data source
UN2922 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
22-24-34 expand Show data source
r22, r24, r34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
s26, s36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS corrosion expand Show data source
GHS skull and crossbones expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
DANGER expand Show data source
Danger expand Show data source
LD50
117 mg kg-1 (dermal, rabbit) expand Show data source
246 mg kg-1 (oral, rat) expand Show data source
GHS Hazard statements
301, 310, 314 expand Show data source
H301-H310-H314 expand Show data source
H301-H310-H314-H318 expand Show data source
GHS Precautionary statements
280, 302+350, 305+351+338, 310 expand Show data source
P280-P301 + P310-P302 + P350-P305 + P351 + P338-P310 expand Show data source
P280-P302 + P350-P305 + P351 + P338-P310 expand Show data source
P280-P305+P351+P338-P309-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 2922 8/PG 2 expand Show data source
Purity
~95% (titration) expand Show data source
≥98.0% (T) expand Show data source
96% expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
(NH2CH2CH2)3N expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 225630 external link
Application
Building block for cryptands;1 precursor to a proazaphosphatrane, a stong, nonionic base.2
Packaging
10, 100 mL in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Reagent for rapid cleavage of the Fmoc group in peptide synthesis, particularly recommended in conjunction with Fmoc-protected acid chlorides as the active species: J. Org. Chem., 55, 1673 (1990). For a review of peptide synthesis via amino acid halides, see: Acc. Chem. Res., 29, 268 (1996). For peptide reagents, see Appendix 6.
  • • Reaction with aryl isocyanates and isothiocyanates gives tris-urea and -thiourea derivatives which have been evaluated as phosphate and sulfate receptors: Chem. Lett., 759 (1995).
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PATENTS

PATENTS

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INTERNET

INTERNET

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