Back to Search
1,1-Dibutoxy-N,N-Dimethylmethanamine
CAS: 18503-90-7 | C11H25NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18503-90-7
Molecular Formula:
C11H25NO2
Molecular Mass:
203.33 g/mol
Names and Synonyms:
1,1-Dibutoxy-N,N-Dimethylmethanamine
Methanamine, 1,1-dibutoxy-N,N-dimethyl-
Trimethylamine, 1,1-dibutoxy-
1,1-Dibutoxy-N,N-dimethylmethanamine
Formamide, N,N-dimethyl-, dibutyl acetal
N,N-Dimethylformamide dibutyl acetal
Dimethylformamide dibutyl acetal
DMF-dibutyl acetal
Identifiers:
SMILES:
CCCCOC(OCCCC)N(C)C
InChI:
InChI=1S/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3
Key Properties
Boiling Point
96-98 °C @ Press: 16 Torr
CAS Common Chemistry
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 | 203.33 g/mol | CAS Common Chemistry |
| 203.32599999999996 g/mol | RDKit | |
| 203.18852904 g/mol | RDKit | |
| Boiling Point | 96-98 °C @ Press: 16 Torr | CAS Common Chemistry |
| 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 |
| LogP | 2.4650000000000007 | RDKit |
| Molar Refractivity | 59.19500000000005 | RDKit |
