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Molecule
4-Piperidinamine, Hydrochloride (1:2)
CAS: 35621-01-3 · C5H14Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 35621-01-3
- Molecular Formula
- C5H14Cl2N2
- Molecular Mass
- 173.09 g/mol
Identifiers
CAS Registry Number
35621-01-3
SMILES
Cl.Cl.NC1CCNCC1
InChI Key
SGQDWDWJCYEUNC-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2.2ClH/c6-5-1-3-7-4-2-5;;/h5,7H,1-4,6H2;2*1H
Names and Synonyms
- 4-Piperidinamine, Hydrochloride (1:2) Systematic Name
- 4-Piperidinamine, hydrochloride (1:2) Synonym
- 4-Piperidinamine, dihydrochloride Synonym
- 4-Aminopiperidine dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.09 g/mol | CAS Common Chemistry |
| 173.087 g/mol | RDKit | |
| 173.081 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NC1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2.2ClH/c6-5-1-3-7-4-2-5;;/h5,7H,1-4,6H2;2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=SGQDWDWJCYEUNC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 331-333 °C | CAS Common Chemistry |
| Name | 4-Piperidinamine, hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 0.5407 | RDKit |
| Molar Refractivity | 44.57510000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 172.05340380799998 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 = 173.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H14Cl2N2.
