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Molecule
Tert-Butoxybis(Dimethylamino)Methane
CAS: 5815-08-7 · C9H22N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5815-08-7
- Molecular Formula
- C9H22N2O
- Molecular Mass
- 174.29 g/mol
Identifiers
CAS Registry Number
5815-08-7
SMILES
CN(C)C(OC(C)(C)C)N(C)C
InChI Key
HXRAMSFGUAOAJR-UHFFFAOYSA-N
InChI
InChI=1S/C9H22N2O/c1-9(2,3)12-8(10(4)5)11(6)7/h8H,1-7H3
Names and Synonyms
- Tert-Butoxybis(Dimethylamino)Methane Common Name
- Methanediamine, 1-(1,1-dimethylethoxy)-N,N,N′,N′-tetramethyl- Synonym
- Methanediamine, 1-tert-butoxy-N,N,N′,N′-tetramethyl- Synonym
- 1-(1,1-Dimethylethoxy)-N,N,N′,N′-tetramethylmethanediamine Synonym
- Bis(dimethylamino)-tert-butoxymethane Synonym
- tert-Butoxybis(dimethylamino)methane Synonym
- tert-Butoxymethylenebis(dimethylamine) Synonym
- 1-tert-Butoxy-N,N,N′,N′-tetramethylmethanediamine Synonym
- Bredereck's reagent Synonym
- C-tert-Butoxy-N,N,N′,N′-tetramethylmethanediamine Synonym
- t-Butoxybis(dimethylamino)methane Synonym
- Bis(dimethylamino)methyl tert-butyl ether Synonym
- Bredereck reagent Synonym
- N,N,N′,N′-Tetramethyl-1-[(2-methylpropan-2-yl)oxy]methanediamine Synonym
- t-Butoxybis(dimethylamino)methane Synonym
- [(tert-Butoxy)(dimethylamino)methyl]dimethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.29 g/mol | CAS Common Chemistry |
| 174.28799999999998 g/mol | RDKit | |
| 174.288 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tert-Butoxybis(dimethylamino)methane | CAS Common Chemistry |
| Canonical SMILES | O(C(N(C)C)N(C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H22N2O/c1-9(2,3)12-8(10(4)5)11(6)7/h8H,1-7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HXRAMSFGUAOAJR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | tert-Butoxybis(dimethylamino)methane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 15.71 Ų | RDKit |
| 15.25 Ų | chempirical lib | |
| LogP | 1.2083 | RDKit |
| Molar Refractivity | 52.000000000000036 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 174.173213324 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
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MW = 174.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H22N2O.
