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4,4-Diethoxy-1-Butanamine
CAS: 6346-09-4 | C8H19NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6346-09-4
Molecular Formula:
C8H19NO2
Molecular Mass:
161.25 g/mol
Names and Synonyms:
4,4-Diethoxy-1-Butanamine
1-Butanamine, 4,4-diethoxy-
Butyraldehyde, 4-amino-, diethyl acetal
Butylamine, 4,4-diethoxy-
4,4-Diethoxy-1-butanamine
4-Aminobutanal diethyl acetal
4-Aminobutyraldehyde diethyl acetal
4,4-Diethoxybutylamine
NSC 43756
γ-Aminobutryaldehyde diethyl acetal
Identifiers:
SMILES:
CCOC(CCCN)OCC
InChI:
InChI=1S/C8H19NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7,9H2,1-2H3
Key Properties
Boiling Point
196 °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 | 161.25 g/mol | CAS Common Chemistry |
| 161.245 g/mol | RDKit | |
| 161.141578848 g/mol | RDKit | |
| Boiling Point | 196 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)C(OCC)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C8H19NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GFLPSABXBDCMCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4-Diethoxy-1-butanamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| LogP | 1.1243999999999998 | RDKit |
| Molar Refractivity | 45.32840000000001 | RDKit |
