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Molecule
N,N-Diethylethylenediamine
CAS: 100-36-7 · C6H16N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 100-36-7
- Molecular Formula
- C6H16N2
- Molecular Mass
- 116.21 g/mol
Identifiers
CAS Registry Number
100-36-7
SMILES
CCN(CC)CCN
InChI Key
UDGSVBYJWHOHNN-UHFFFAOYSA-N
InChI
InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3
Names and Synonyms
- N,N-Diethylethylenediamine Systematic Name
- 1,2-Ethanediamine, N1,N1-diethyl- Synonym
- Ethylenediamine, N,N-diethyl- Synonym
- 1,2-Ethanediamine, N,N-diethyl- Synonym
- N1,N1-Diethyl-1,2-ethanediamine Synonym
- N-(2-Diethylaminoethyl)amine Synonym
- β-(Diethylamino)ethylamine Synonym
- N,N-Diethylethylenediamine Synonym
- 2-(Diethylamino)ethylamine Synonym
- N-(2-Aminoethyl)-N,N-diethylamine Synonym
- N,N-Diethyl-1,2-ethanediamine Synonym
- 1-Amino-2-(diethylamino)ethane Synonym
- N,N-Diethyl-1,2-diaminoethane Synonym
- N,N-Diethyl-1,2-ethylenediamine Synonym
- 2-(Diethylamino)ethanamine Synonym
- NSC 19675 Synonym
- 1-Amino-2-(N,N-diethylamino)ethane Synonym
- N-[2-(N,N-Diethylamino)ethyl]amine Synonym
- 2-Diethylamino-1-ethylamine Synonym
- Diethylamineethylamine Synonym
- N′,N′-Diethyl-1,2-diaminoethane Synonym
- 2-Diethylamino-1-ethaneamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.21 g/mol | CAS Common Chemistry |
| 116.20800000000001 g/mol | RDKit | |
| 116.208 g/mol | RDKit | |
| Boiling Point | 144 °C | CAS Common Chemistry |
| Canonical SMILES | NCCN(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UDGSVBYJWHOHNN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 184-186 °C (decomp) @ Solvent: Ligroine, Dichloromethane | CAS Common Chemistry |
| Name | N,N-Diethylethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 0.28690000000000004 | RDKit |
| 0.2869 | RDKit | |
| Molar Refractivity | 36.842399999999984 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 116.13134851199999 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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0 ppm
| 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 = 116.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H16N2.
