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Molecule
1,1-Bis(2,2-Dimethylpropoxy)-N,N-Dimethylmethanamine
CAS: 4909-78-8 · C13H29NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4909-78-8
- Molecular Formula
- C13H29NO2
- Molecular Mass
- 231.38 g/mol
Identifiers
CAS Registry Number
4909-78-8
SMILES
CN(C)C(OCC(C)(C)C)OCC(C)(C)C
InChI Key
KEXFRBIOHPDZQM-UHFFFAOYSA-N
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
Names and Synonyms
- 1,1-Bis(2,2-Dimethylpropoxy)-N,N-Dimethylmethanamine Synonym
- Methanamine, 1,1-bis(2,2-dimethylpropoxy)-N,N-dimethyl- Synonym
- Trimethylamine, 1,1-bis(neopentyloxy)- Synonym
- 1,1-Bis(2,2-dimethylpropoxy)-N,N-dimethylmethanamine Synonym
- Dimethylformamide dineopentyl acetal Synonym
- N,N-Dimethylformamide dineopentyl acetal Synonym
- DMF dineopentyl acetal Synonym
- Dimethylformamide bis(2,2-dimethylpropyl) acetal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 231.38 g/mol | CAS Common Chemistry |
| 231.37999999999994 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 |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 2.9570000000000007 | RDKit |
| 2.957 | RDKit | |
| Molar Refractivity | 68.28900000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 231.219829168 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.
External Resources
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MW = 231.38 g/mol. Edit any field — others recompute live.
