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N-(1,1-Dimethylethyl)Formamide
CAS: 2425-74-3 | C5H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2425-74-3
Molecular Formula:
C5H11NO
Molecular Mass:
101.15 g/mol
Names and Synonyms:
N-(1,1-Dimethylethyl)Formamide
Formamide, N-(1,1-dimethylethyl)-
Formamide, N-tert-butyl-
N-(1,1-Dimethylethyl)formamide
N-tert-Butylformamide
tert-Butylformamide
NSC 7082
N-Formyl-tert-butylamine
Identifiers:
SMILES:
CC(C)(C)N=CO
InChI:
InChI=1S/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7)
Key Properties
Boiling Point
202 °C
CAS Common Chemistry
Melting Point
16 °C
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 | 101.15 g/mol | CAS Common Chemistry |
| 101.14899999999999 g/mol | RDKit | |
| 101.084063972 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 |
| Molar Refractivity | 30.87379999999998 | RDKit |
