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Molecule
4,4-Diethoxy-N,N-Dimethyl-1-Butanamine
CAS: 1116-77-4 · C10H23NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1116-77-4
- Molecular Formula
- C10H23NO2
- Molecular Mass
- 189.30 g/mol
Identifiers
CAS Registry Number
1116-77-4
SMILES
CCOC(CCCN(C)C)OCC
InChI Key
QKXMWBLNSPNBEY-UHFFFAOYSA-N
InChI
InChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3
Names and Synonyms
- 4,4-Diethoxy-N,N-Dimethyl-1-Butanamine Systematic Name
- 1-Butanamine, 4,4-diethoxy-N,N-dimethyl- Synonym
- Butyraldehyde, 4-(dimethylamino)-, diethyl acetal Synonym
- 4,4-Diethoxy-N,N-dimethyl-1-butanamine Synonym
- 4,4-Diethoxy-N,N-dimethylbutylamine Synonym
- 4,4-Diethoxy-N,N-dimethylbutanamine Synonym
- 4-(Dimethylamino)butanal diethyl acetal Synonym
- 1-(N,N-Dimethylamino)-4,4-diethoxybutane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.30 g/mol | CAS Common Chemistry |
| 189.29899999999998 g/mol | RDKit | |
| 189.299 g/mol | RDKit | |
| Boiling Point | 92-93 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)C(OCC)CCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QKXMWBLNSPNBEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4-Diethoxy-N,N-dimethyl-1-butanamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.700000000000003 Ų | RDKit |
| 21.7 Ų | RDKit | |
| 21.47 Ų | chempirical lib | |
| LogP | 1.7272999999999998 | RDKit |
| 1.7273 | RDKit | |
| Molar Refractivity | 54.828000000000046 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 189.172878976 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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 = 189.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H23NO2.
