Back to Search
Molecule
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
- Molecular Mass
- 73.14 g/mol
Identifiers
CAS Registry Number
75-64-9
SMILES
CC(C)(C)N
InChI Key
YBRBMKDOPFTVDT-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
Names and Synonyms
- Tert-Butylamine Common Name
- 2-Propanamine, 2-methyl- Synonym
- tert-Butylamine Synonym
- 2-Methyl-2-propanamine Synonym
- 2-Aminoisobutane Synonym
- 2-Amino-2-methylpropane Synonym
- Trimethylaminomethane Synonym
- 2-Methyl-2-aminopropane Synonym
- 1,1-Dimethylethylamine Synonym
- t-Butylamine Synonym
- 1,1-Dimethylethanamine Synonym
- Erbumine Synonym
- 1-Amino-1,1-dimethylethane Synonym
- tert-Butylamine Synonym
- 2-Methyl-2-propylamine Synonym
- N-tert-Butylamine Synonym
- NSC 9571 Synonym
- TB Amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.14 g/mol | CAS Common Chemistry |
| 73.13900000000001 g/mol | RDKit | |
| 73.139 g/mol | RDKit | |
| Density | 0.70 g/cm³ | CAS Common Chemistry |
| 0.6958 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tert-Butylamine | CAS Common Chemistry |
| Boiling Point | 44 °C | CAS Common Chemistry |
| Canonical SMILES | NC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YBRBMKDOPFTVDT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -66.9 °C | CAS Common Chemistry |
| Name | tert-Butylamine | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.7436 | RDKit |
| Molar Refractivity | 23.940399999999997 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
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.
External Resources
Convert
Quick conversion
MW = 73.14 g/mol; density = 0.700 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H11N.
