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Tert-Butoxybis(Dimethylamino)Methane
CAS: 5815-08-7 | C9H22N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5815-08-7
Molecular Formula:
C9H22N2O
Molecular Mass:
174.29 g/mol
Names and Synonyms:
Tert-Butoxybis(Dimethylamino)Methane
Methanediamine, 1-(1,1-dimethylethoxy)-N,N,N′,N′-tetramethyl-
Methanediamine, 1-tert-butoxy-N,N,N′,N′-tetramethyl-
1-(1,1-Dimethylethoxy)-N,N,N′,N′-tetramethylmethanediamine
Bis(dimethylamino)-tert-butoxymethane
tert-Butoxybis(dimethylamino)methane
tert-Butoxymethylenebis(dimethylamine)
1-tert-Butoxy-N,N,N′,N′-tetramethylmethanediamine
Bredereck's reagent
C-tert-Butoxy-N,N,N′,N′-tetramethylmethanediamine
t-Butoxybis(dimethylamino)methane
Bis(dimethylamino)methyl tert-butyl ether
Bredereck reagent
N,N,N′,N′-Tetramethyl-1-[(2-methylpropan-2-yl)oxy]methanediamine
t-Butoxybis(dimethylamino)methane
[(tert-Butoxy)(dimethylamino)methyl]dimethylamine
Identifiers:
SMILES:
CN(C)C(OC(C)(C)C)N(C)C
InChI:
InChI=1S/C9H22N2O/c1-9(2,3)12-8(10(4)5)11(6)7/h8H,1-7H3
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 | 174.29 g/mol | CAS Common Chemistry |
| 174.28799999999998 g/mol | RDKit | |
| 174.173213324 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 |
| LogP | 1.2083 | RDKit |
| Molar Refractivity | 52.000000000000036 | RDKit |
