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Molecule
4,4-Dimethoxy-N,N-Dimethyl-1-Butanamine
CAS: 19718-92-4 · C8H19NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19718-92-4
- Molecular Formula
- C8H19NO2
- Molecular Mass
- 161.24 g/mol
Identifiers
CAS Registry Number
19718-92-4
SMILES
COC(CCCN(C)C)OC
InChI Key
WDZKKBDOGYBYBG-UHFFFAOYSA-N
InChI
InChI=1S/C8H19NO2/c1-9(2)7-5-6-8(10-3)11-4/h8H,5-7H2,1-4H3
Names and Synonyms
- 4,4-Dimethoxy-N,N-Dimethyl-1-Butanamine Systematic Name
- 1-Butanamine, 4,4-dimethoxy-N,N-dimethyl- Synonym
- Butyraldehyde, 4-(dimethylamino)-, dimethyl acetal Synonym
- Butylamine, 4,4-dimethoxy-N,N-dimethyl- Synonym
- 4,4-Dimethoxy-N,N-dimethyl-1-butanamine Synonym
- 4-(Dimethylamino)butyraldehyde dimethyl acetal Synonym
- 4,4-Dimethoxy-N,N-dimethylbutanamine Synonym
- 4-(Dimethylamino)butanal dimethyl acetal Synonym
- (4,4-Dimethoxy-butyl)-dimethyl-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.24 g/mol | CAS Common Chemistry |
| 161.245 g/mol | RDKit | |
| 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 |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 0.9471 | RDKit |
| Molar Refractivity | 45.594000000000015 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 161.141578848 g/mol | RDKit |
| Boiling Point | 53.5 °C @ 5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 161.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H19NO2.
