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Molecule
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
Identifiers
CAS Registry Number
36805-97-7
SMILES
CN(C)C(OC(C)(C)C)OC(C)(C)C
InChI Key
DBNQIOANXZVWIP-UHFFFAOYSA-N
InChI
InChI=1S/C11H25NO2/c1-10(2,3)13-9(12(7)8)14-11(4,5)6/h9H,1-8H3
Names and Synonyms
- N,N-Dimethylformamide Di-Tert-Butyl Acetal Systematic Name
- Methanamine, 1,1-bis(1,1-dimethylethoxy)-N,N-dimethyl- Synonym
- Trimethylamine, 1,1-di-tert-butoxy- Synonym
- 1,1-Bis(1,1-dimethylethoxy)-N,N-dimethylmethanamine Synonym
- Dimethylformamide di-tert-butyl acetal Synonym
- N,N-Dimethylformamide di-tert-butyl acetal Synonym
- DMF di-tert-butyl acetal Synonym
- Di-tert-butyl dimethylformamide acetal Synonym
- Di-tert-butoxymethyldimethylamine Synonym
- N,N-DMF di-tert-butyl acetal Synonym
- 1,1-Di-tert-butoxy-N,N-dimethylmethaneamine Synonym
- 1,1-Di-tert-butoxy-N,N-dimethylmethanamine Synonym
- Di(tert-butoxy)(dimethylamino)methane Synonym
- 1,1-Di-tert-butoxytrimethylamine Synonym
- [Bis(tert-butoxy)methyl]dimethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.33 g/mol | CAS Common Chemistry |
| 203.32599999999996 g/mol | RDKit | |
| 203.326 g/mol | RDKit | |
| 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 |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 2.4618 | RDKit |
| Molar Refractivity | 59.15100000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 203.18852904 g/mol | RDKit |
| Boiling Point | 53-54 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 203.33 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H25NO2.
