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2-Pyridinamine, 3,4,5,6-Tetrahydro-, Hydrochloride (1:1)
CAS: 16011-96-4 | C5H11ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16011-96-4
Molecular Formula:
C5H11ClN2
Molecular Weight:
134.61 g/mol
Names and Synonyms:
2-Pyridinamine, 3,4,5,6-Tetrahydro-, Hydrochloride (1:1)
2-Pyridinamine, 3,4,5,6-tetrahydro-, hydrochloride (1:1)
Piperidine, 2-imino-, monohydrochloride
2-Pyridinamine, 3,4,5,6-tetrahydro-, monohydrochloride
2-Iminopiperidine hydrochloride
(3,4,5,6-Tetrahydropyridin-2-yl)amine monohydrochloride
Identifiers:
SMILES:
Cl.N=C1CCCCN1
InChI:
InChI=1S/C5H10N2.ClH/c6-5-3-1-2-4-7-5;/h1-4H2,(H2,6,7);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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 134.61 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 134.061076032 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 2 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 | 35.88 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.15897 | RDKit |
| molecular_mass | 134.61 g/mol | Legacy Database |
| cas-canonical-smile | Cl.N1=C(N)CCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C5H10N2.ClH/c6-5-3-1-2-4-7-5;/h1-4H2,(H2,6,7);1H None | Legacy Database |
| cas-inchi-key | InChIKey=ZHDTXTDHBRADLM-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Pyridinamine, 3,4,5,6-tetrahydro-, hydrochloride (1:1) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.8284 | RDKit |
