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(±)-Sec-Butylamine
CAS: 33966-50-6 | C4H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 33966-50-6
- Molecular Formula
- C4H11N
- Molecular Mass
- 73.14 g/mol
Identifiers
CAS Registry Number
33966-50-6
SMILES
CCC(C)N
InChI Key
BHRZNVHARXXAHW-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
Names and Synonyms
- (±)-Sec-Butylamine Synonym
- 2-Butanamine Synonym
- sec-Butylamine Synonym
- 2-Aminobutane Synonym
- Tutane Synonym
- 2-AB Synonym
- 1-Methylpropylamine Synonym
- 2-Butylamine Synonym
- 1-Methylpropanamine Synonym
- Butafume Synonym
- dl-2-Butylamine Synonym
- DL-sec-Butylamine Synonym
- (±)-2-Butylamine Synonym
- (±)-2-Aminobutane Synonym
- (±)-2-Butanamine Synonym
- (±)-sec-Butylamine Synonym
- (RS)-sec-butylamine Synonym
- NSC 8030 Synonym
- Butan-2-ylamine 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 | 0.72 g/cm³ | CAS Common Chemistry |
| 0.724 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 63 °C | CAS Common Chemistry |
| Canonical SMILES | NC(C)CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BHRZNVHARXXAHW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -104 °C | CAS Common Chemistry |
| Name | (±)-sec-Butylamine | 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 | 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
Related
Related molecules
Other compounds with formula C4H11N.
