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Molecule
N-(1,1-Dimethylethyl)Formamide
CAS: 2425-74-3 · C5H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2425-74-3
- Molecular Formula
- C5H11NO
- Molecular Mass
- 101.15 g/mol
Identifiers
CAS Registry Number
2425-74-3
SMILES
CC(C)(C)N=CO
InChI Key
SDLAKRCBYGZJRW-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7)
Names and Synonyms
- N-(1,1-Dimethylethyl)Formamide Synonym
- Formamide, N-(1,1-dimethylethyl)- Synonym
- Formamide, N-tert-butyl- Synonym
- N-(1,1-Dimethylethyl)formamide Synonym
- N-tert-Butylformamide Synonym
- tert-Butylformamide Synonym
- NSC 7082 Synonym
- N-Formyl-tert-butylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.15 g/mol | CAS Common Chemistry |
| 101.14899999999999 g/mol | RDKit | |
| 101.149 g/mol | RDKit | |
| Boiling Point | 202 °C | CAS Common Chemistry |
| Canonical SMILES | O=CNC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=SDLAKRCBYGZJRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 16 °C | CAS Common Chemistry |
| Name | N-(1,1-Dimethylethyl)formamide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 1.3712 | RDKit |
| 1.25 | chempirical lib | |
| Molar Refractivity | 30.87379999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 101.084063972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| 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 = 101.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H11NO.
