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N,N-Dibutylformamide
CAS: 761-65-9 | C9H19NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
761-65-9
Molecular Formula:
C9H19NO
Molecular Mass:
157.26 g/mol
Names and Synonyms:
N,N-Dibutylformamide
Formamide, N,N-dibutyl-
N,N-Dibutylformamide
Dibutylformamide
N,N-Di-n-butylformamide
NSC 404525
N-Formyldibutylamine
Identifiers:
SMILES:
CCCCN(C=O)CCCC
InChI:
InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
Key Properties
Boiling Point
76-78 °C @ Press: 0.25 Torr
CAS Common Chemistry
Melting Point
60-100 °C
CAS Common Chemistry
Density
0.89 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.26 g/mol | CAS Common Chemistry |
| 157.25699999999995 g/mol | RDKit | |
| 157.146664228 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.8932 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 76-78 °C @ Press: 0.25 Torr | 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 |
| LogP | 2.045 | RDKit |
| Molar Refractivity | 47.453000000000024 | RDKit |
