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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 Weight:
144.262 g/mol
Names and Synonyms:
N,N-Diisopropylethylenediamine
1,2-Ethanediamine, N1,N1-bis(1-methylethyl)-
Ethylenediamine, N,N-diisopropyl-
1,2-Ethanediamine, N,N-bis(1-methylethyl)-
N1,N1-Bis(1-methylethyl)-1,2-ethanediamine
N,N-Diisopropylethylenediamine
2-(Diisopropylamino)ethylamine
N,N-Diisopropyl-1,2-ethanediamine
2-(Diisopropylamino)ethanamine
N-(N,N-Diisopropylamino)ethylamine
N,N-Bis(1-methylethyl)-1,2-ethanediamine
NSC 166335
[2-(Diisopropylamino)ethan-1-yl]amine
(2-Aminoethyl)bis(propan-2-yl)amine
2-Aminoethyldiisopropylamine
Identifiers:
SMILES:
CC(C)N(CCN)C(C)C
InChI:
InChI=1S/C8H20N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 144.26 g/mol | Legacy Database |
| LogP | 1.0638999999999998 | RDKit |
| cas-boiling-point | 38 °C @ Press: 3-4 Torr None | Legacy Database |
| cas-canonical-smile | NCCN(C(C)C)C(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H20N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CURJNMSGPBXOGK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 109-111.5 °C @ Solvent: Ligroine, Dichloromethane None | Legacy Database |
| cas-name | N,N-Diisopropylethylenediamine None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.262 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.16264864 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.03240000000002 | RDKit |
