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4,4-Dimethoxy-N,N-Dimethyl-1-Butanamine
CAS: 19718-92-4 | C8H19NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19718-92-4
Molecular Formula:
C8H19NO2
Molecular Mass:
161.24 g/mol
Names and Synonyms:
4,4-Dimethoxy-N,N-Dimethyl-1-Butanamine
1-Butanamine, 4,4-dimethoxy-N,N-dimethyl-
Butyraldehyde, 4-(dimethylamino)-, dimethyl acetal
Butylamine, 4,4-dimethoxy-N,N-dimethyl-
4,4-Dimethoxy-N,N-dimethyl-1-butanamine
4-(Dimethylamino)butyraldehyde dimethyl acetal
4,4-Dimethoxy-N,N-dimethylbutanamine
4-(Dimethylamino)butanal dimethyl acetal
(4,4-Dimethoxy-butyl)-dimethyl-amine
Identifiers:
SMILES:
COC(CCCN(C)C)OC
InChI:
InChI=1S/C8H19NO2/c1-9(2)7-5-6-8(10-3)11-4/h8H,5-7H2,1-4H3
Key Properties
Boiling Point
53.5 °C @ Press: 5 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 | 161.24 g/mol | CAS Common Chemistry |
| 161.245 g/mol | RDKit | |
| 161.141578848 g/mol | RDKit | |
| Boiling Point | 53.5 °C @ Press: 5 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)C(OC)CCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H19NO2/c1-9(2)7-5-6-8(10-3)11-4/h8H,5-7H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WDZKKBDOGYBYBG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4-Dimethoxy-N,N-dimethyl-1-butanamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| LogP | 0.9471 | RDKit |
| Molar Refractivity | 45.594000000000015 | RDKit |
