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Molecule
1,1-Dibutoxy-N,N-Dimethylmethanamine
CAS: 18503-90-7 · C11H25NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18503-90-7
- Molecular Formula
- C11H25NO2
- Molecular Mass
- 203.33 g/mol
Identifiers
CAS Registry Number
18503-90-7
SMILES
CCCCOC(OCCCC)N(C)C
InChI Key
GSFFXKGTGPMVLM-UHFFFAOYSA-N
InChI
InChI=1S/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3
Names and Synonyms
- 1,1-Dibutoxy-N,N-Dimethylmethanamine Systematic Name
- Methanamine, 1,1-dibutoxy-N,N-dimethyl- Synonym
- Trimethylamine, 1,1-dibutoxy- Synonym
- 1,1-Dibutoxy-N,N-dimethylmethanamine Synonym
- Formamide, N,N-dimethyl-, dibutyl acetal Synonym
- N,N-Dimethylformamide dibutyl acetal Synonym
- Dimethylformamide dibutyl acetal Synonym
- DMF-dibutyl acetal 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(CCCC)C(OCCCC)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GSFFXKGTGPMVLM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dibutoxy-N,N-dimethylmethanamine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 2.4650000000000007 | RDKit |
| 2.465 | RDKit | |
| Molar Refractivity | 59.19500000000005 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 | 96-98 °C @ 16 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
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.
