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4,4-Diethoxy-N,N-Dimethyl-1-Butanamine
CAS: 1116-77-4 | C10H23NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1116-77-4
Molecular Formula:
C10H23NO2
Molecular Mass:
189.30 g/mol
Names and Synonyms:
4,4-Diethoxy-N,N-Dimethyl-1-Butanamine
1-Butanamine, 4,4-diethoxy-N,N-dimethyl-
Butyraldehyde, 4-(dimethylamino)-, diethyl acetal
4,4-Diethoxy-N,N-dimethyl-1-butanamine
4,4-Diethoxy-N,N-dimethylbutylamine
4,4-Diethoxy-N,N-dimethylbutanamine
4-(Dimethylamino)butanal diethyl acetal
1-(N,N-Dimethylamino)-4,4-diethoxybutane
Identifiers:
SMILES:
CCOC(CCCN(C)C)OCC
InChI:
InChI=1S/C10H23NO2/c1-5-12-10(13-6-2)8-7-9-11(3)4/h10H,5-9H2,1-4H3
Key Properties
Boiling Point
92-93 °C
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 | 189.30 g/mol | CAS Common Chemistry |
| 189.29899999999998 g/mol | RDKit | |
| 189.172878976 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 |
| LogP | 1.7272999999999998 | RDKit |
| Molar Refractivity | 54.828000000000046 | RDKit |
