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1-Piperidinepropanamine
CAS: 3529-08-6 | C8H18N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3529-08-6
Molecular Formula:
C8H18N2
Molecular Weight:
142.24599999999998 g/mol
Names and Synonyms:
1-Piperidinepropanamine
1-Piperidinepropanamine
Piperidine, 1-(3-aminopropyl)-
N-(ω-Aminopropyl)piperidine
1-(3-Aminopropyl)piperidine
3-Piperidinopropylamine
3-(N-Piperidino)propylamine
N-(3-Aminopropyl)piperidine
3-(1-Piperidinyl)propylamine
3-Piperidino-1-propylamine
n-(γ-Aminopropyl)piperidine
3-Piperidinopropan-1-amine
3-(Piperidin-1-yl)propan-1-amine
3-(Piperidin-1-yl)propane-1-amine
[3-(Piperidin-1-yl)propyl]amine-3-(piperidin-1-yl)propan-1-amine
Identifiers:
SMILES:
NCCCN1CCCCC1
InChI:
InChI=1S/C8H18N2/c9-5-4-8-10-6-2-1-3-7-10/h1-9H2
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 | 142.25 g/mol | Legacy Database |
| density | 0.90 g/cm³ | Legacy Database |
| cas-boiling-point | 81-83 °C @ Press: 9 Torr None | Legacy Database |
| cas-canonical-smile | NCCCN1CCCCC1 None | Legacy Database |
| cas-density | 0.9024 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C8H18N2/c9-5-4-8-10-6-2-1-3-7-10/h1-9H2 None | Legacy Database |
| cas-inchi-key | InChIKey=JMUCXULQKPWSTJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-Piperidinepropanamine None | Legacy Database |
| LogP | 0.8210999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.24599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.146998576 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 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 | 29.259999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.962400000000024 | RDKit |
