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Molecule
2-Pyridinamine, 3,4,5,6-Tetrahydro-, Hydrochloride (1:1)
CAS: 16011-96-4 · C5H11ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16011-96-4
- Molecular Formula
- C5H11ClN2
- Molecular Mass
- 134.61 g/mol
Identifiers
CAS Registry Number
16011-96-4
SMILES
Cl.N=C1CCCCN1
InChI Key
ZHDTXTDHBRADLM-UHFFFAOYSA-N
InChI
InChI=1S/C5H10N2.ClH/c6-5-3-1-2-4-7-5;/h1-4H2,(H2,6,7);1H
Names and Synonyms
- 2-Pyridinamine, 3,4,5,6-Tetrahydro-, Hydrochloride (1:1) Synonym
- 2-Pyridinamine, 3,4,5,6-tetrahydro-, hydrochloride (1:1) Synonym
- Piperidine, 2-imino-, monohydrochloride Synonym
- 2-Pyridinamine, 3,4,5,6-tetrahydro-, monohydrochloride Synonym
- 2-Iminopiperidine hydrochloride Synonym
- (3,4,5,6-Tetrahydropyridin-2-yl)amine monohydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.61 g/mol | CAS Common Chemistry |
| 134.607 g/mol | chempirical lib | |
| Canonical SMILES | Cl.N1=C(N)CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H10N2.ClH/c6-5-3-1-2-4-7-5;/h1-4H2,(H2,6,7);1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZHDTXTDHBRADLM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Pyridinamine, 3,4,5,6-tetrahydro-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.88 Ų | RDKit |
| LogP | 1.15897 | RDKit |
| 1.159 | RDKit | |
| Molar Refractivity | 36.8284 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 134.061076032 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 134.61 g/mol. Edit any field — others recompute live.
