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Molecule
N,N-Diethyl-N′-Methylethylenediamine
CAS: 104-79-0 · C7H18N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 104-79-0
- Molecular Formula
- C7H18N2
- Molecular Mass
- 130.24 g/mol
Identifiers
CAS Registry Number
104-79-0
SMILES
CCN(CC)CCNC
InChI Key
MKDYQLJYEBWUIG-UHFFFAOYSA-N
InChI
InChI=1S/C7H18N2/c1-4-9(5-2)7-6-8-3/h8H,4-7H2,1-3H3
Names and Synonyms
- N,N-Diethyl-N′-Methylethylenediamine Systematic Name
- 1,2-Ethanediamine, N1,N1-diethyl-N2-methyl- Synonym
- Ethylenediamine, N,N-diethyl-N′-methyl- Synonym
- 1,2-Ethanediamine, N,N-diethyl-N′-methyl- Synonym
- N1,N1-Diethyl-N2-methyl-1,2-ethanediamine Synonym
- N,N-Diethyl-N′-methylethylenediamine Synonym
- 2-(Diethylamino)-N-methylethylamine Synonym
- [2-(Diethylamino)ethyl]methylamine Synonym
- N,N-Diethyl-N′-methyl-1,2-ethanediamine Synonym
- Methyl(2-(diethylamino)ethyl)amine Synonym
- NSC 27480 Synonym
- N-[2-(Diethylamino)ethyl]-N-methylamine Synonym
- Diethyl(2-methylaminoethyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 130.24 g/mol | CAS Common Chemistry |
| 130.23499999999999 g/mol | RDKit | |
| 130.235 g/mol | RDKit | |
| Boiling Point | 155-160 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)CCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C7H18N2/c1-4-9(5-2)7-6-8-3/h8H,4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MKDYQLJYEBWUIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Diethyl-N′-methylethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| 15.04 Ų | chempirical lib | |
| LogP | 0.5475999999999999 | RDKit |
| 0.5476 | RDKit | |
| Molar Refractivity | 41.71470000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 130.146998576 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 130.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H18N2.
