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3-Methoxypropylamine
CAS: 5332-73-0 | C4H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5332-73-0
Molecular Formula:
C4H11NO
Molecular Weight:
89.13800000000002 g/mol
Names and Synonyms:
3-Methoxypropylamine
Synonym
1-Propanamine, 3-methoxy-
Synonym
Propylamine, 3-methoxy-
Synonym
3-Methoxy-1-propanamine
Synonym
γ-Methoxypropylamine
Synonym
3-Methoxypropylamine
Synonym
1-Amino-3-methoxypropane
Synonym
3-Aminopropyl methyl ether
Synonym
3-Methoxy-n-propylamine
Synonym
Propanolamine methyl ether
Synonym
NSC 552
Synonym
3-Methoxy-1-aminopropane
Synonym
1-Methoxy-3-aminopropane
Synonym
(3-Methoxypropan-1-yl)amine
Synonym
[3-(Methyloxy)propyl]amine
Synonym
3-Amino-1-methoxypropane
Synonym
3-(Methyloxy)-1-propanamine
Synonym
Identifiers:
SMILES:
COCCCN
InChI:
InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 89.13800000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 89.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 35.25 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.01839999999999986 | RDKit |
| molecular_mass | 89.14 g/mol | Legacy Database |
| density | 0.87 g/cm³ | Legacy Database |
| cas-boiling-point | 117.5 °C None | Legacy Database |
| cas-canonical-smile | O(C)CCCN None | Legacy Database |
| cas-density | 0.8737 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FAXDZWQIWUSWJH-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 3-Methoxypropylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.547399999999996 | RDKit |