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Molecule
N,N-Diisopropylethylamine
CAS: 7087-68-5 · C8H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7087-68-5
- Molecular Formula
- C8H19N
- Molecular Mass
- 129.25 g/mol
Identifiers
CAS Registry Number
7087-68-5
SMILES
CCN(C(C)C)C(C)C
InChI Key
JGFZNNIVVJXRND-UHFFFAOYSA-N
InChI
InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
Names and Synonyms
- N,N-Diisopropylethylamine Systematic Name
- 2-Propanamine, N-ethyl-N-(1-methylethyl)- Synonym
- Hunig's reagent Synonym
- Bis(1-methylethyl)ethylamine Synonym
- NSC 147491 Synonym
- Ethyl-N,N-diisopropylamine Synonym
- N,N-Bis(1-methylethyl)-N-ethylamine Synonym
- N-Ethyl-N-isopropylpropan-2-amine Synonym
- DIPEA Synonym
- N-Ethyl-N-propan-2-ylpropan-2-amine Synonym
- Ethylbis(propan-2-yl)amine Synonym
- Triethylamine, 1,1′-dimethyl- Synonym
- N-Ethyl-N-(1-methylethyl)-2-propanamine Synonym
- N-Ethyldiisopropylamine Synonym
- Ethyldiisopropylamine Synonym
- N-Ethyl-N,N-diisopropylamine Synonym
- N,N-Diisopropylethylamine Synonym
- Diisopropylethylamine Synonym
- 1,1′-Dimethyltriethylamine Synonym
- Huenig's base Synonym
- Hunig's base Synonym
- DIEA Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.25 g/mol | CAS Common Chemistry |
| 129.24699999999999 g/mol | RDKit | |
| 129.247 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N,N-Diisopropylethylamine | CAS Common Chemistry |
| Boiling Point | 126.5 °C | CAS Common Chemistry |
| Canonical SMILES | N(CC)(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JGFZNNIVVJXRND-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126-128 °C | CAS Common Chemistry |
| Name | Diisopropylethylamine | CAS Common Chemistry |
| N,N-Diisopropylethylamine | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.1250999999999998 | RDKit |
| 2.1251 | RDKit | |
| Molar Refractivity | 42.652000000000015 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 129.151749608 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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.
External Resources
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MW = 129.25 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H19N.
