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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 Mass:
89.14 g/mol
Names and Synonyms:
3-Methoxypropylamine
1-Propanamine, 3-methoxy-
Propylamine, 3-methoxy-
3-Methoxy-1-propanamine
γ-Methoxypropylamine
3-Methoxypropylamine
1-Amino-3-methoxypropane
3-Aminopropyl methyl ether
3-Methoxy-n-propylamine
Propanolamine methyl ether
NSC 552
3-Methoxy-1-aminopropane
1-Methoxy-3-aminopropane
(3-Methoxypropan-1-yl)amine
[3-(Methyloxy)propyl]amine
3-Amino-1-methoxypropane
3-(Methyloxy)-1-propanamine
Identifiers:
SMILES:
COCCCN
InChI:
InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3
Key Properties
Boiling Point
117.5 °C
CAS Common Chemistry
Density
0.87 g/cm³
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 | 89.14 g/mol | CAS Common Chemistry |
| 89.13800000000002 g/mol | RDKit | |
| 89.084063972 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.8737 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 117.5 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FAXDZWQIWUSWJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Methoxypropylamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.25 Ų | RDKit |
| LogP | -0.01839999999999986 | RDKit |
| Molar Refractivity | 25.547399999999996 | RDKit |
