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1-Piperidinamine, Hydrochloride (1:1)
CAS: 63234-70-8 | C5H13ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
63234-70-8
Molecular Formula:
C5H13ClN2
Molecular Weight:
136.626 g/mol
Names and Synonyms:
1-Piperidinamine, Hydrochloride (1:1)
N-Aminopiperidine hydrochloride
1-Aminopiperidine hydrochloride
Piperidine, 1-amino-, hydrochloride
1-Piperidinamine, monohydrochloride
1-Piperidinamine, hydrochloride (1:1)
Identifiers:
SMILES:
Cl.NN1CCCCC1
InChI:
InChI=1S/C5H12N2.ClH/c6-7-4-2-1-3-5-7;/h1-6H2;1H
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 |
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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 | 136.63 g/mol | Legacy Database |
| cas-canonical-smile | Cl.NN1CCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H12N2.ClH/c6-7-4-2-1-3-5-7;/h1-6H2;1H None | Legacy Database |
| cas-inchi-key | InChIKey=ZTNLXZOJUZAGRP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 162 °C None | Legacy Database |
| cas-name | 1-Piperidinamine, hydrochloride (1:1) None | Legacy Database |
| LogP | 0.7678 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 136.626 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 136.076726096 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.85940000000001 | RDKit |
