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Molecule
Dibutylamine
CAS: 111-92-2 · C8H19N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 111-92-2
- Molecular Formula
- C8H19N
- Molecular Mass
- 129.25 g/mol
Identifiers
CAS Registry Number
111-92-2
SMILES
CCCCNCCCC
InChI Key
JQVDAXLFBXTEQA-UHFFFAOYSA-N
InChI
InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3
Names and Synonyms
- Dibutylamine Common Name
- 1-Butanamine, N-butyl- Synonym
- Dibutylamine Synonym
- N-Butyl-1-butanamine Synonym
- Di-n-butylamine Synonym
- N,N-Di-n-butylamine Synonym
- N,N-Dibutylamine Synonym
- n-Dibutylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.25 g/mol | CAS Common Chemistry |
| 129.24699999999999 g/mol | RDKit | |
| 129.247 g/mol | RDKit | |
| Density | 0.76 g/cm³ | CAS Common Chemistry |
| 0.7601 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibutylamine | CAS Common Chemistry |
| Boiling Point | 159-160 °C | CAS Common Chemistry |
| Canonical SMILES | N(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JQVDAXLFBXTEQA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -60--59 °C | CAS Common Chemistry |
| Name | Dibutylamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.1761999999999997 | RDKit |
| 2.1762 | RDKit | |
| Molar Refractivity | 42.68570000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 129.151749608 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
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Quick conversion
MW = 129.25 g/mol; density = 0.760 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H19N.
