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Molecule
Triethylenetetramine Dihydrochloride
CAS: 38260-01-4 · C6H20Cl2N4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 38260-01-4
- Molecular Formula
- C6H20Cl2N4
- Molecular Mass
- 219.16 g/mol
Identifiers
CAS Registry Number
38260-01-4
SMILES
Cl.Cl.NCCNCCNCCN
InChI Key
WYHIICXRPHEJKI-UHFFFAOYSA-N
InChI
InChI=1S/C6H18N4.2ClH/c7-1-3-9-5-6-10-4-2-8;;/h9-10H,1-8H2;2*1H
Names and Synonyms
- Triethylenetetramine Dihydrochloride Synonym
- 1,2-Ethanediamine, N1,N2-bis(2-aminoethyl)-, hydrochloride (1:2) Synonym
- 1,2-Ethanediamine, N,N′-bis(2-aminoethyl)-, dihydrochloride Synonym
- Triethylenetetramine dihydrochloride Synonym
- Trientine hydrochloride Synonym
- Trien dihydrochloride Synonym
- TTH Synonym
- Cuprid Synonym
- Syprine Synonym
- Trientine dihydrochloride Synonym
- N,N′-Bis-(2-aminoethyl)-1,2-ethanediamine dihydrochloride Synonym
- Cufence Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.16 g/mol | CAS Common Chemistry |
| 219.154 g/mol | chempirical lib | |
| 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 |
| -1.0734 | RDKit | |
| Molar Refractivity | 58.34420000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 218.10650199999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 219.16 g/mol. Edit any field — others recompute live.
