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1-Aminopiperidine
CAS: 2213-43-6 | C5H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2213-43-6
Molecular Formula:
C5H12N2
Molecular Weight:
100.165 g/mol
Names and Synonyms:
1-Aminopiperidine
Piperidin-1-ylamine
NSC 83225
1-Piperidylamine
1-Piperidineamine
Pentamethylenehydrazine
1-Aminopiperidine
N-Aminopiperidine
Piperidine, 1-amino-
1-Piperidinamine
Identifiers:
SMILES:
NN1CCCCC1
InChI:
InChI=1S/C5H12N2/c6-7-4-2-1-3-5-7/h1-6H2
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 | 100.165 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 100.10004838399999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.34599999999999964 | RDKit |
| molecular_mass | 100.17 g/mol | Legacy Database |
| cas-boiling-point | 147 °C None | Legacy Database |
| cas-canonical-smile | NN1CCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H12N2/c6-7-4-2-1-3-5-7/h1-6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=LWMPFIOTEAXAGV-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-Aminopiperidine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.61139999999999 | RDKit |
