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N-Butylamine
CAS: 109-73-9 | C4H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-73-9
Molecular Formula:
C4H11N
Molecular Weight:
73.139 g/mol
Names and Synonyms:
N-Butylamine
Synonym
1-Butanamine
Synonym
Butylamine
Synonym
1-Aminobutane
Synonym
Mono-n-butylamine
Synonym
Norvalamine
Synonym
n-Butylamine
Synonym
Monobutylamine
Synonym
1-Butylamine
Synonym
NSC 8029
Synonym
Identifiers:
SMILES:
CCCCN
InChI:
InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 73.139 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 73.08914935199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.7452000000000001 | RDKit |
| molecular_mass | 73.14 g/mol | Legacy Database |
| density | 0.73 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/N-Butylamine None | Legacy Database |
| cas-boiling-point | 78 °C None | Legacy Database |
| cas-canonical-smile | NCCCC None | Legacy Database |
| cas-density | 0.7327 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -50 °C None | Legacy Database |
| cas-name | Butylamine None | Legacy Database |
| wikipedia-name | n-Butylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.9624 | RDKit |