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Molecule
Diisopropylformamide
CAS: 2700-30-3 · C7H15NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2700-30-3
- Molecular Formula
- C7H15NO
- Molecular Mass
- 129.20 g/mol
Identifiers
CAS Registry Number
2700-30-3
SMILES
CC(C)N(C=O)C(C)C
InChI Key
UNBDDZDKBWPHAX-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO/c1-6(2)8(5-9)7(3)4/h5-7H,1-4H3
Names and Synonyms
- Diisopropylformamide Common Name
- Formamide, N,N-bis(1-methylethyl)- Synonym
- Formamide, N,N-diisopropyl- Synonym
- N,N-Bis(1-methylethyl)formamide Synonym
- N,N-Diisopropylformamide Synonym
- Diisopropylformamide Synonym
- NSC 404524 Synonym
- N-Formyldiisopropylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 129.20 g/mol | CAS Common Chemistry |
| 129.20299999999997 g/mol | RDKit | |
| 129.203 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.89 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=CN(C(C)C)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H15NO/c1-6(2)8(5-9)7(3)4/h5-7H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UNBDDZDKBWPHAX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Diisopropylformamide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| 20.31 Ų | RDKit | |
| 20.08 Ų | chempirical lib | |
| LogP | 1.2615999999999998 | RDKit |
| 1.2616 | RDKit | |
| Molar Refractivity | 38.175 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 129.1153641 g/mol | RDKit |
| Boiling Point | 103 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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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MW = 129.20 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15NO.
