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Molecule
Hexamethyltriethylenetetramine
CAS: 3083-10-1 · C12H30N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3083-10-1
- Molecular Formula
- C12H30N4
- Molecular Mass
- 230.40 g/mol
Identifiers
CAS Registry Number
3083-10-1
SMILES
CN(C)CCN(C)CCN(C)CCN(C)C
InChI Key
DWFKOMDBEKIATP-UHFFFAOYSA-N
InChI
InChI=1S/C12H30N4/c1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4/h7-12H2,1-6H3
Names and Synonyms
- Hexamethyltriethylenetetramine Synonym
- 1,2-Ethanediamine, N1,N2-bis[2-(dimethylamino)ethyl]-N1,N2-dimethyl- Synonym
- Triethylenetetramine, 1,1,4,7,10,10-hexamethyl- Synonym
- 1,2-Ethanediamine, N,N′-bis[2-(dimethylamino)ethyl]-N,N′-dimethyl- Synonym
- N1,N2-Bis[2-(dimethylamino)ethyl]-N1,N2-dimethyl-1,2-ethanediamine Synonym
- Hexamethyltriethylenetetramine Synonym
- N,N,N′,N′′,N′′′,N′′′-Hexamethyltriethylenetetramine Synonym
- 1,1,4,7,10,10-Hexamethyltriethylenetetramine Synonym
- 2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane Synonym
- N,N,N′,N′-Tetramethyl-3,6-dimethyl-3,6-diazaoctane-1,8-diamine Synonym
- 1,2-Bis((2-(dimethylamino)ethyl)(methyl)amino)ethane Synonym
- N,N′-Bis[2-(dimethylamino)ethyl]-N,N′-dimethylethane-1,2-diamine Synonym
- NSC 166488 Synonym
- HMTETA Synonym
- Hexamethylenetriethylenetetramine Synonym
- DryPlus Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 230.40 g/mol | CAS Common Chemistry |
| 230.39999999999998 g/mol | RDKit | |
| 230.4 g/mol | RDKit | |
| Canonical SMILES | N(C)(C)CCN(C)CCN(C)CCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H30N4/c1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4/h7-12H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DWFKOMDBEKIATP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 162 °C | CAS Common Chemistry |
| Name | Hexamethyltriethylenetetramine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.96 Ų | RDKit |
| 12.04 Ų | chempirical lib | |
| LogP | -0.02679999999999727 | RDKit |
| -0.0268 | RDKit | |
| Molar Refractivity | 72.10200000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 230.24704695999998 g/mol | RDKit |
| Boiling Point | 130 °C @ 11 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 = 230.40 g/mol. Edit any field — others recompute live.
