Back to Search
Dimethylisopropylamine
CAS: 996-35-0 | C5H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
996-35-0
Molecular Formula:
C5H13N
Molecular Weight:
87.166 g/mol
Names and Synonyms:
Dimethylisopropylamine
Common Name
Catalyst 704
Synonym
2-Dimethylaminopropane
Synonym
Isopropyldimethylamine
Synonym
N,N-Dimethylisopropylamine
Synonym
Dimethylisopropylamine
Synonym
N,N-Dimethyl-2-propanamine
Synonym
Ethylamine, N,N,1-trimethyl-
Synonym
2-Propanamine, N,N-dimethyl-
Synonym
Identifiers:
SMILES:
CC(C)N(C)C
InChI:
InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,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 | 87.17 g/mol | Legacy Database |
| cas-boiling-point | 66 °C None | Legacy Database |
| cas-canonical-smile | N(C)(C)C(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=VMOWKUTXPNPTEN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Dimethylisopropylamine None | Legacy Database |
| LogP | 0.9564 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 87.166 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 87.10479941599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.24 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.822999999999983 | RDKit |