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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
Identifiers
CAS Registry Number
4747-21-1
SMILES
CNC(C)C
InChI Key
XHFGWHUWQXTGAT-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.14 g/mol | CAS Common Chemistry |
| 73.139 g/mol | RDKit | |
| Density | 0.70 g/cm³ | CAS Common Chemistry |
| 0.7026 g/cm3 @ 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 |
| 0.6142 | RDKit | |
| Molar Refractivity | 24.19569999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 73.08914935199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
Related
Related molecules
Other compounds with formula C4H11N.
