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Molecule
N,N-Diisopropylethylenediamine
CAS: 121-05-1 · C8H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 121-05-1
- Molecular Formula
- C8H20N2
- Molecular Mass
- 144.26 g/mol
Identifiers
CAS Registry Number
121-05-1
SMILES
CC(C)N(CCN)C(C)C
InChI Key
CURJNMSGPBXOGK-UHFFFAOYSA-N
InChI
InChI=1S/C8H20N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3
Names and Synonyms
- N,N-Diisopropylethylenediamine Synonym
- 1,2-Ethanediamine, N1,N1-bis(1-methylethyl)- Synonym
- Ethylenediamine, N,N-diisopropyl- Synonym
- 1,2-Ethanediamine, N,N-bis(1-methylethyl)- Synonym
- N1,N1-Bis(1-methylethyl)-1,2-ethanediamine Synonym
- N,N-Diisopropylethylenediamine Synonym
- 2-(Diisopropylamino)ethylamine Synonym
- N,N-Diisopropyl-1,2-ethanediamine Synonym
- 2-(Diisopropylamino)ethanamine Synonym
- N-(N,N-Diisopropylamino)ethylamine Synonym
- N,N-Bis(1-methylethyl)-1,2-ethanediamine Synonym
- NSC 166335 Synonym
- [2-(Diisopropylamino)ethan-1-yl]amine Synonym
- (2-Aminoethyl)bis(propan-2-yl)amine Synonym
- 2-Aminoethyldiisopropylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.26 g/mol | CAS Common Chemistry |
| 144.262 g/mol | RDKit | |
| Canonical SMILES | NCCN(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CURJNMSGPBXOGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 109-111.5 °C @ Solvent: Ligroine, Dichloromethane | CAS Common Chemistry |
| Name | N,N-Diisopropylethylenediamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 1.0638999999999998 | RDKit |
| 1.0639 | RDKit | |
| Molar Refractivity | 46.03240000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 144.16264864 g/mol | RDKit |
| Boiling Point | 38 °C @ 3-4 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 144.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H20N2.
