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N,N-Dimethylformamide Di-Tert-Butyl Acetal
CAS: 36805-97-7 | C11H25NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
36805-97-7
Molecular Formula:
C11H25NO2
Molecular Mass:
203.33 g/mol
Names and Synonyms:
N,N-Dimethylformamide Di-Tert-Butyl Acetal
Methanamine, 1,1-bis(1,1-dimethylethoxy)-N,N-dimethyl-
Trimethylamine, 1,1-di-tert-butoxy-
1,1-Bis(1,1-dimethylethoxy)-N,N-dimethylmethanamine
Dimethylformamide di-tert-butyl acetal
N,N-Dimethylformamide di-tert-butyl acetal
DMF di-tert-butyl acetal
Di-tert-butyl dimethylformamide acetal
Di-tert-butoxymethyldimethylamine
N,N-DMF di-tert-butyl acetal
1,1-Di-tert-butoxy-N,N-dimethylmethaneamine
1,1-Di-tert-butoxy-N,N-dimethylmethanamine
Di(tert-butoxy)(dimethylamino)methane
1,1-Di-tert-butoxytrimethylamine
[Bis(tert-butoxy)methyl]dimethylamine
Identifiers:
SMILES:
CN(C)C(OC(C)(C)C)OC(C)(C)C
InChI:
InChI=1S/C11H25NO2/c1-10(2,3)13-9(12(7)8)14-11(4,5)6/h9H,1-8H3
Key Properties
Boiling Point
53-54 °C @ Press: 3 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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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 |
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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 | 203.33 g/mol | CAS Common Chemistry |
| 203.32599999999996 g/mol | RDKit | |
| 203.18852904 g/mol | RDKit | |
| Boiling Point | 53-54 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C(OC(C)(C)C)N(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H25NO2/c1-10(2,3)13-9(12(7)8)14-11(4,5)6/h9H,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DBNQIOANXZVWIP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,N-Dimethylformamide di-tert-butyl acetal | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| LogP | 2.4618 | RDKit |
| Molar Refractivity | 59.15100000000006 | RDKit |
