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Triethylenetetramine Dihydrochloride
CAS: 38260-01-4 | C6H20Cl2N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38260-01-4
Molecular Formula:
C6H20Cl2N4
Molecular Mass:
219.16 g/mol
Names and Synonyms:
Triethylenetetramine Dihydrochloride
1,2-Ethanediamine, N1,N2-bis(2-aminoethyl)-, hydrochloride (1:2)
1,2-Ethanediamine, N,N′-bis(2-aminoethyl)-, dihydrochloride
Triethylenetetramine dihydrochloride
Trientine hydrochloride
Trien dihydrochloride
TTH
Cuprid
Syprine
Trientine dihydrochloride
N,N′-Bis-(2-aminoethyl)-1,2-ethanediamine dihydrochloride
Cufence
Identifiers:
SMILES:
Cl.Cl.NCCNCCNCCN
InChI:
InChI=1S/C6H18N4.2ClH/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H
Key Properties
Melting Point
115-118 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.16 g/mol | CAS Common Chemistry |
| 218.10650199999998 g/mol | RDKit | |
| Canonical SMILES | Cl.NCCNCCNCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H18N4.2ClH/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=WYHIICXRPHEJKI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115-118 °C | CAS Common Chemistry |
| Name | Triethylenetetramine dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.1 Ų | RDKit |
| LogP | -1.0733999999999986 | RDKit |
| Molar Refractivity | 58.34420000000002 | RDKit |
