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N,N′-Diisopropylethylenediamine
CAS: 4013-94-9 | C8H20N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4013-94-9
Molecular Formula:
C8H20N2
Molecular Weight:
144.26199999999997 g/mol
Names and Synonyms:
N,N′-Diisopropylethylenediamine
1,2-Ethanediamine, N1,N2-bis(1-methylethyl)-
Ethylenediamine, N,N′-diisopropyl-
1,2-Ethanediamine, N,N′-bis(1-methylethyl)-
N1,N2-Bis(1-methylethyl)-1,2-ethanediamine
N,N′-Diisopropylethylenediamine
N,N′-Diisopropyl-1,2-diaminoethane
1,2-Bis(isopropylamino)ethane
N,N′-Diisopropyl-1,2-ethanediamine
(Propan-2-yl)([2-[(propan-2-yl)amino]ethyl])amine
Identifiers:
SMILES:
CC(C)NCCNC(C)C
InChI:
InChI=1S/C8H20N2/c1-7(2)9-5-6-10-8(3)4/h7-10H,5-6H2,1-4H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.26199999999997 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 | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 24.06 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.9823999999999997 | RDKit |
| molecular_mass | 144.26 g/mol | Legacy Database |
| cas-boiling-point | 169-171 °C None | Legacy Database |
| cas-canonical-smile | N(CCNC(C)C)C(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C8H20N2/c1-7(2)9-5-6-10-8(3)4/h7-10H,5-6H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MFIGJRRHGZYPDD-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N,N′-Diisopropylethylenediamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 46.277400000000014 | RDKit |
