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1,1-Bis(2,2-Dimethylpropoxy)-N,N-Dimethylmethanamine
CAS: 4909-78-8 | C13H29NO2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
4909-78-8
Molecular Formula:
C13H29NO2
Molecular Mass:
231.38 g/mol
Names and Synonyms:
1,1-Bis(2,2-Dimethylpropoxy)-N,N-Dimethylmethanamine
Methanamine, 1,1-bis(2,2-dimethylpropoxy)-N,N-dimethyl-
Trimethylamine, 1,1-bis(neopentyloxy)-
1,1-Bis(2,2-dimethylpropoxy)-N,N-dimethylmethanamine
Dimethylformamide dineopentyl acetal
N,N-Dimethylformamide dineopentyl acetal
DMF dineopentyl acetal
Dimethylformamide bis(2,2-dimethylpropyl) acetal
Identifiers:
SMILES:
CN(C)C(OCC(C)(C)C)OCC(C)(C)C
InChI:
InChI=1S/C13H29NO2/c1-12(2,3)9-15-11(14(7)8)16-10-13(4,5)6/h11H,9-10H2,1-8H3
Key Properties
Melting Point
253.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
5
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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 |
|---|
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 | 231.38 g/mol | CAS Common Chemistry |
| 231.37999999999994 g/mol | RDKit | |
| 231.219829168 g/mol | RDKit | |
| Canonical SMILES | O(CC(C)(C)C)C(OCC(C)(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H29NO2/c1-12(2,3)9-15-11(14(7)8)16-10-13(4,5)6/h11H,9-10H2,1-8H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KEXFRBIOHPDZQM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 253.5 °C | CAS Common Chemistry |
| Name | 1,1-Bis(2,2-dimethylpropoxy)-N,N-dimethylmethanamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| LogP | 2.9570000000000007 | RDKit |
| Molar Refractivity | 68.28900000000006 | RDKit |
