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Molecule
Tetraethylenepentamine
CAS: 112-57-2 · C8H23N5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 112-57-2
- Molecular Formula
- C8H23N5
- Molecular Mass
- 189.31 g/mol
Identifiers
CAS Registry Number
112-57-2
SMILES
NCCNCCNCCNCCN
InChI Key
FAGUFWYHJQFNRV-UHFFFAOYSA-N
InChI
InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
Names and Synonyms
- Tetraethylenepentamine Common Name
- 1,2-Ethanediamine, N1-(2-aminoethyl)-N2-[2-[(2-aminoethyl)amino]ethyl]- Synonym
- Tetraethylenepentamine Synonym
- 1,2-Ethanediamine, N-(2-aminoethyl)-N′-[2-[(2-aminoethyl)amino]ethyl]- Synonym
- N1-(2-Aminoethyl)-N2-[2-[(2-aminoethyl)amino]ethyl]-1,2-ethanediamine Synonym
- 3,6,9-Triazaundecane-1,11-diamine Synonym
- 1,11-Diamino-3,6,9-triazaundecane Synonym
- Tetren Synonym
- TEP Synonym
- 1,4,7,10,13-Pentaazatridecane Synonym
- Tetraethylpentylamine Synonym
- DEH 26 Synonym
- 3,6,9-Triaza-1,11-diaminoundecane Synonym
- Ancamine TEPA Synonym
- TEPA Synonym
- NSC 88603 Synonym
- N-(2-Aminoethyl)-N′-(2-((2-aminoethyl)amino)ethyl)-1,2-ethanediamine Synonym
- T 11509 Synonym
- Bis[2-(2-aminoethylamino)ethyl]amine Synonym
- AFR-AN 6 Synonym
- TH 160 Synonym
- Insulcure 9 Synonym
- Epikure 927 Synonym
- Epikure Curing Agent 927 Synonym
- Tetraethylene pentaamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.31 g/mol | CAS Common Chemistry |
| 189.307 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.9980 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetraethylenepentamine | CAS Common Chemistry |
| Canonical SMILES | NCCNCCNCCNCCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FAGUFWYHJQFNRV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -30 °C | CAS Common Chemistry |
| Name | Tetraethylenepentamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 88.13 Ų | RDKit |
| LogP | -2.3273999999999972 | RDKit |
| -2.3274 | RDKit | |
| Molar Refractivity | 56.71790000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 189.19534573599998 g/mol | RDKit |
| Boiling Point | 340.30 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 189.31 g/mol; density = 1.000 g/mL. Edit any field — others recompute live.
