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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
1-Butanamine
Butylamine
1-Aminobutane
Mono-n-butylamine
Norvalamine
n-Butylamine
Monobutylamine
1-Butylamine
NSC 8029
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
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 73.139 g/mol | RDKit |
| Exact | Exact Molecular Weight | 73.08914935199999 g/mol | RDKit |
| Heavy | Heavy Atom Count | 5 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 26.02 Ų | RDKit |
| Physical Properties | 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 | Legacy Database | |
| cas-boiling-point | 78 °C | Legacy Database | |
| cas-canonical-smile | NCCCC | Legacy Database | |
| cas-density | 0.7327 g/cm3 @ Temp: 25 °C | Legacy Database | |
| cas-inchi | InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -50 °C | Legacy Database | |
| cas-name | Butylamine | Legacy Database | |
| wikipedia-name | n-Butylamine | Legacy Database | |
| Molar | Molar Refractivity | 23.9624 | RDKit |
