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3-(Morpholino)-n-propylamine
CAS: 123-00-2 | C7H16N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
123-00-2
Molecular Formula:
C7H16N2O
Molecular Weight:
144.21799999999996 g/mol
Names and Synonyms:
3-(Morpholino)-n-propylamine
3-(4-Morpholinyl)propanamine
4-(3-Aminopropyl)Morpholine
4-Morpholinepropanamine
Morpholine, 4-(3-aminopropyl)-
γ-Morpholinopropylamine
N-(3-Aminopropyl)morpholine
4-(γ-Aminopropyl)morpholine
1-Amino-3-morpholinopropane
3-Morpholinopropylamine
3-Amino-1-(morpholino)propane
4-(3-Aminopropyl)morpholine
3-(4-Morpholinyl)propylamine
3-(N-Morpholino)-1-aminopropane
3-Morpholinopropanamine
3-(4-Morpholinyl)-1-propanamine
1-Morpholino-3-aminopropane
NSC 1081
3-(4-Morpholinyl)-1-propylamine
3-(Morpholin-4-yl)propylamine
3-(4-Morpholino)propylamine
[3-(4-Morpholinyl)propan-1-yl]amine
[3-(Morpholino)propan-1-yl]amine
N-Morpholino-3-propylamine
3-(Morpholin-4-yl)propan-1-amine
Identifiers:
SMILES:
NCCCN1CCOCC1
InChI:
InChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 144.22 g/mol | Legacy Database |
| density | 0.99 g/cm³ | Legacy Database |
| cas-boiling-point | 220 °C None | Legacy Database |
| cas-canonical-smile | O1CCN(CC1)CCCN None | Legacy Database |
| cas-density | 0.9902 g/cm3 @ Temp: 15 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H2 None | Legacy Database |
| cas-inchi-key | InChIKey=UIKUBYKUYUSRSM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -15 °C None | Legacy Database |
| cas-name | 4-(3-Aminopropyl)morpholine None | Legacy Database |
| LogP | -0.3325999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.21799999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.126263132 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 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 | 38.489999999999995 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.93040000000001 | RDKit |
