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Methylisopropylamine
CAS: 4747-21-1 | C4H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4747-21-1
Molecular Formula:
C4H11N
Molecular Weight:
73.139 g/mol
Names and Synonyms:
Methylisopropylamine
Synonym
2-Propanamine, N-methyl-
Synonym
Ethylamine, N,1-dimethyl-
Synonym
Isopropylamine, N-methyl-
Synonym
N-Methylisopropylamine
Synonym
2-(Methylamino)propane
Synonym
Methylisopropylamine
Synonym
Isopropylmethylamine
Synonym
N,1-Dimethylethylamine
Synonym
N-Methyl-N-isopropylamine
Synonym
N-Methyl-2-propanamine
Synonym
N-Isopropyl-N-methylamine
Synonym
N-Methyl-N-(1-methylethyl)amine
Synonym
N-Isopropylmethylamine
Synonym
NSC 1065
Synonym
Methyl(1-methylethyl)amine
Synonym
(Methyl)(propan-2-yl)amine
Synonym
Methyl(propan-2-yl)amine
Synonym
N-Methyl-2-propylamine
Synonym
Identifiers:
SMILES:
CNC(C)C
InChI:
InChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3
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 | 73.139 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 73.08914935199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 12.03 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6141999999999999 | RDKit |
| molecular_mass | 73.14 g/mol | Legacy Database |
| density | 0.70 g/cm³ | Legacy Database |
| cas-density | 0.7026 g/cm3 @ Temp: 19 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=XHFGWHUWQXTGAT-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Methylisopropylamine None | Legacy Database |
| cas-canonical-smile | N(C)C(C)C None | Legacy Database |
| cas-boiling-point | 50.4 °C None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.19569999999999 | RDKit |