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Diisopropylamine
CAS: 108-18-9 | C6H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-18-9
Molecular Formula:
C6H15N
Molecular Weight:
101.19299999999998 g/mol
Names and Synonyms:
Diisopropylamine
D 0925
Bis(propan-2-yl)amine
N-Isopropylpropan-2-amine
Bis(1-methylethyl)amine
N-(Propan-2-yl)propan-2-amine
NSC 6758
Bis(isopropyl)amine
N,N-Diisopropylamine
N-(1-Methylethyl)-2-propanamine
Diisopropylamine
2-Propanamine, N-(1-methylethyl)-
Identifiers:
SMILES:
CC(C)NC(C)C
InChI:
InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,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 | 101.19 g/mol | Legacy Database |
| density | 0.72 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Diisopropylamine None | Legacy Database |
| cas-boiling-point | 84 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | N(C(C)C)C(C)C None | Legacy Database |
| cas-density | 0.7169 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UAOMVDZJSHZZME-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -61 °C None | Legacy Database |
| cas-name | Diisopropylamine None | Legacy Database |
| wikipedia-name | Diisopropylamine None | Legacy Database |
| LogP | 1.3927999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.19299999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.12044947999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.03 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.407699999999984 | RDKit |
