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4,4-Dimethoxy-1-Butanamine
CAS: 19060-15-2 | C6H15NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19060-15-2
Molecular Formula:
C6H15NO2
Molecular Mass:
133.19 g/mol
Names and Synonyms:
4,4-Dimethoxy-1-Butanamine
1-Butanamine, 4,4-dimethoxy-
Butyraldehyde, 4-amino-, dimethyl acetal
Butylamine, 4,4-dimethoxy-
4,4-Dimethoxy-1-butanamine
4-Aminobutanal dimethyl acetal
4-Aminobutyraldehyde dimethyl acetal
4,4-Dimethoxybutylamine
4,4-Bis(methyloxy)butylamine
γ-Aminobutyraldehyde dimethyl acetal
4,4-Dimethoxybutanamine
Identifiers:
SMILES:
COC(CCCN)OC
InChI:
InChI=1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3
Key Properties
Boiling Point
76-77 °C @ Press: 18 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 | 133.19 g/mol | CAS Common Chemistry |
| 133.19100000000003 g/mol | RDKit | |
| 133.11027872 g/mol | RDKit | |
| Boiling Point | 76-77 °C @ Press: 18 Torr | CAS Common Chemistry |
| Canonical SMILES | O(C)C(OC)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO2/c1-8-6(9-2)4-3-5-7/h6H,3-5,7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=TYVAXMOICMBSMT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4-Dimethoxy-1-butanamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| LogP | 0.3442000000000002 | RDKit |
| Molar Refractivity | 36.09439999999999 | RDKit |
