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Tert-Butylamine
CAS: 75-64-9 | C4H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-64-9
Molecular Formula:
C4H11N
Names and Synonyms:
Tert-Butylamine
TB Amine
NSC 9571
N-tert-Butylamine
2-Methyl-2-propylamine
tert-Butylamine
1-Amino-1,1-dimethylethane
Erbumine
1,1-Dimethylethanamine
t-Butylamine
1,1-Dimethylethylamine
2-Methyl-2-aminopropane
Trimethylaminomethane
2-Amino-2-methylpropane
2-Aminoisobutane
2-Methyl-2-propanamine
tert-Butylamine
2-Propanamine, 2-methyl-
Identifiers:
SMILES:
CC(C)(C)N
InChI:
InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
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
| Property | Value | Source |
|---|---|---|
| Physical Properties | 73.14 g/mol | Legacy Database |
| 0.70 g/cm³ | Legacy Database | |
| https://en.wikipedia.org/wiki/Tert-Butylamine | Legacy Database | |
| 44 °C | Legacy Database | |
| NC(C)(C)C | Legacy Database | |
| 0.6958 g/cm3 @ Temp: 20 °C | Legacy Database | |
| InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3 | Legacy Database | |
| InChIKey=YBRBMKDOPFTVDT-UHFFFAOYSA-N | Legacy Database | |
| -66.9 °C | Legacy Database | |
| tert-Butylamine | Legacy Database | |
| tert-Butylamine | Legacy Database | |
| 0.7436 | RDKit | |
| Molecular | 73.13900000000001 g/mol | RDKit |
| Exact | 73.08914935199999 g/mol | RDKit |
| Heavy | 5 count | RDKit |
| Hydrogen | 1 count | RDKit |
| 1 count | RDKit | |
| Rotatable | 0 count | RDKit |
| Aromatic | 0 count | RDKit |
| Topological | 26.02 Ų | RDKit |
| Molar | 23.940399999999997 | RDKit |
Related Molecules
Other compounds with formula C4H11N
