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Molecule
N,N-Dibutylformamide
CAS: 761-65-9 · C9H19NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 761-65-9
- Molecular Formula
- C9H19NO
- Molecular Mass
- 157.26 g/mol
Identifiers
CAS Registry Number
761-65-9
SMILES
CCCCN(C=O)CCCC
InChI Key
NZMAJUHVSZBJHL-UHFFFAOYSA-N
InChI
InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
Names and Synonyms
- N,N-Dibutylformamide Systematic Name
- Formamide, N,N-dibutyl- Synonym
- N,N-Dibutylformamide Synonym
- Dibutylformamide Synonym
- N,N-Di-n-butylformamide Synonym
- NSC 404525 Synonym
- N-Formyldibutylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.26 g/mol | CAS Common Chemistry |
| 157.25699999999995 g/mol | RDKit | |
| 157.257 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8932 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=CN(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NZMAJUHVSZBJHL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60-100 °C | CAS Common Chemistry |
| Name | N,N-Dibutylformamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 2.045 | RDKit |
| Molar Refractivity | 47.453000000000024 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 157.146664228 g/mol | RDKit |
| Boiling Point | 76-78 °C @ 0.25 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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.
External Resources
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MW = 157.26 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H19NO.
