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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 Mass:
73.14 g/mol
Names and Synonyms:
Methylisopropylamine
2-Propanamine, N-methyl-
Ethylamine, N,1-dimethyl-
Isopropylamine, N-methyl-
N-Methylisopropylamine
2-(Methylamino)propane
Methylisopropylamine
Isopropylmethylamine
N,1-Dimethylethylamine
N-Methyl-N-isopropylamine
N-Methyl-2-propanamine
N-Isopropyl-N-methylamine
N-Methyl-N-(1-methylethyl)amine
N-Isopropylmethylamine
NSC 1065
Methyl(1-methylethyl)amine
(Methyl)(propan-2-yl)amine
Methyl(propan-2-yl)amine
N-Methyl-2-propylamine
Identifiers:
SMILES:
CNC(C)C
InChI:
InChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3
Key Properties
Boiling Point
50.4 °C
CAS Common Chemistry
Density
0.70 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.14 g/mol | CAS Common Chemistry |
| 73.139 g/mol | RDKit | |
| 73.08914935199999 g/mol | RDKit | |
| Density | 0.70 g/cm³ | CAS Common Chemistry |
| 0.7026 g/cm3 @ Temp: 19 °C | CAS Common Chemistry | |
| Boiling Point | 50.4 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XHFGWHUWQXTGAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methylisopropylamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 0.6141999999999999 | RDKit |
| Molar Refractivity | 24.19569999999999 | RDKit |
