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Molecule
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 Mass
- 136.63 g/mol
Identifiers
CAS Registry Number
63234-70-8
SMILES
Cl.NN1CCCCC1
InChI Key
ZTNLXZOJUZAGRP-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2.ClH/c6-7-4-2-1-3-5-7;/h1-6H2;1H
Names and Synonyms
- 1-Piperidinamine, Hydrochloride (1:1) Systematic Name
- 1-Piperidinamine, hydrochloride (1:1) Synonym
- 1-Piperidinamine, monohydrochloride Synonym
- Piperidine, 1-amino-, hydrochloride Synonym
- 1-Aminopiperidine hydrochloride Synonym
- N-Aminopiperidine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.63 g/mol | CAS Common Chemistry |
| 136.626 g/mol | RDKit | |
| 136.623 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2.ClH/c6-7-4-2-1-3-5-7;/h1-6H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZTNLXZOJUZAGRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 162 °C | CAS Common Chemistry |
| Name | 1-Piperidinamine, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.259999999999998 Ų | RDKit |
| 29.26 Ų | RDKit | |
| 29.03 Ų | chempirical lib | |
| LogP | 0.7678 | RDKit |
| Molar Refractivity | 36.85940000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 136.076726096 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 136.63 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13ClN2.
