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Molecule
N1,N2-Dimethyl-N1-[2-(Methylamino)Ethyl]-1,2-Ethanediamine
CAS: 105-84-0 · C7H19N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 105-84-0
- Molecular Formula
- C7H19N3
- Molecular Mass
- 145.25 g/mol
Identifiers
CAS Registry Number
105-84-0
SMILES
CNCCN(C)CCNC
InChI Key
ODZZIKZQNODXFS-UHFFFAOYSA-N
InChI
InChI=1S/C7H19N3/c1-8-4-6-10(3)7-5-9-2/h8-9H,4-7H2,1-3H3
Names and Synonyms
- N1,N2-Dimethyl-N1-[2-(Methylamino)Ethyl]-1,2-Ethanediamine Systematic Name
- 1,2-Ethanediamine, N1,N2-dimethyl-N1-[2-(methylamino)ethyl]- Synonym
- Diethylenetriamine, 1,4,7-trimethyl- Synonym
- 1,2-Ethanediamine, N,N′-dimethyl-N-[2-(methylamino)ethyl]- Synonym
- N1,N2-Dimethyl-N1-[2-(methylamino)ethyl]-1,2-ethanediamine Synonym
- 1,4,7-Trimethyldiethylenetriamine Synonym
- N,N′,N′′-Trimethyldiethylenetriamine Synonym
- N,N′-Dimethyl-N-[2-(methylamino)ethyl]-1,2-ethanediamine Synonym
- 1,4,7-Trimethyl-1,4,7-triazaheptane Synonym
- NSC 166321 Synonym
- N,N′-Dimethyl-N-[2-(methylamino)ethyl]ethylenediamine Synonym
- N,N-Bis[2-(methylamino)ethyl]methylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.25 g/mol | CAS Common Chemistry |
| Canonical SMILES | N(C)CCN(C)CCNC | CAS Common Chemistry |
| InChI | InChI=1S/C7H19N3/c1-8-4-6-10(3)7-5-9-2/h8-9H,4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ODZZIKZQNODXFS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N1,N2-Dimethyl-N1-[2-(methylamino)ethyl]-1,2-ethanediamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.299999999999997 Ų | RDKit |
| 27.3 Ų | RDKit | |
| 27.07 Ų | chempirical lib | |
| LogP | -0.6429999999999985 | RDKit |
| -0.643 | RDKit | |
| Molar Refractivity | 45.35040000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 145.15789760799998 g/mol | RDKit |
| Boiling Point | 60 °C @ 1 Torr | CAS Common Chemistry |
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.
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MW = 145.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H19N3.
