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Sec-Butylamine
CAS: 13952-84-6 | C4H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13952-84-6
Molecular Formula:
C4H11N
Molecular Mass:
73.14 g/mol
Names and Synonyms:
Sec-Butylamine
2-Butanamine
sec-Butylamine
2-Aminobutane
Tutane
2-AB
1-Methylpropylamine
2-Butylamine
1-Methylpropanamine
Butafume
dl-2-Butylamine
DL-sec-Butylamine
(±)-2-Butylamine
(±)-2-Aminobutane
(±)-2-Butanamine
(±)-sec-Butylamine
(RS)-sec-butylamine
NSC 8030
Butan-2-ylamine
Identifiers:
SMILES:
CCC(C)N
InChI:
InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
Key Properties
Boiling Point
63 °C
CAS Common Chemistry
Melting Point
-104 °C
CAS Common Chemistry
Density
0.72 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 |
| 73.13900000000001 g/mol | RDKit | |
| 73.08914935199999 g/mol | RDKit | |
| Density | 0.72 g/cm³ | CAS Common Chemistry |
| 0.724 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Sec-Butylamine | 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 |
| 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 | RDKit |
