Molecule
N-Butylamine
CAS: 109-73-9 · C4H11N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 109-73-9
- Molecular Formula
- C4H11N
- Molecular Mass
- 73.14 g/mol
Identifiers
CAS Registry Number
109-73-9
SMILES
CCCCN
InChI Key
HQABUPZFAYXKJW-UHFFFAOYSA-N
InChI
InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 73.14 g/mol | CAS Common Chemistry |
| 73.139 g/mol | RDKit | |
| Density | 0.73 g/cm³ | CAS Common Chemistry |
| 0.7327 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Butylamine | CAS Common Chemistry |
| Boiling Point | 78 °C | CAS Common Chemistry |
| Canonical SMILES | NCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -50 °C | CAS Common Chemistry |
| Name | Butylamine | CAS Common Chemistry |
| n-Butylamine | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 0.7452000000000001 | RDKit |
| 0.7452 | RDKit | |
| Molar Refractivity | 23.9624 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
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
| 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
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Quick conversion
MW = 73.14 g/mol; density = 0.730 g/mL. Edit any field — others recompute live.
Synthesis
Reactions involving this molecule
Curated and imported reactions where this compound appears as a reactant, catalyst, solvent, or product. Calc-ready entries open the Reaction Scale Calculator pre-anchored on this molecule at 10 mmol; the rest go to the procedure overview.
Related
Related molecules
Other compounds with formula C4H11N.
