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Molecule
1-(2-Chloroethyl)Piperidine Hydrochloride
CAS: 2008-75-5 · C7H15Cl2N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2008-75-5
- Molecular Formula
- C7H15Cl2N
- Molecular Mass
- 184.11 g/mol
Identifiers
CAS Registry Number
2008-75-5
SMILES
Cl.ClCCN1CCCCC1
InChI Key
VFLQQZCRHPIGJU-UHFFFAOYSA-N
InChI
InChI=1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H
Names and Synonyms
- 1-(2-Chloroethyl)Piperidine Hydrochloride Systematic Name
- Piperidine, 1-(2-chloroethyl)-, hydrochloride (1:1) Synonym
- Piperidine, 1-(2-chloroethyl)-, hydrochloride Synonym
- N-(β-Chloroethyl)piperidine hydrochloride Synonym
- 1-Chloro-2-piperidinoethane hydrochloride Synonym
- 2-Piperidinoethyl chloride hydrochloride Synonym
- 1-(2-Chloroethyl)piperidine hydrochloride Synonym
- N-(2-Chloroethyl)piperidine hydrochloride Synonym
- 2-Piperidino-1-chloroethane hydrochloride Synonym
- 2-(Piperidin-1-yl)ethyl chloride hydrochloride Synonym
- 1-(2-Chloroethyl)piperidine monohydrochloride Synonym
- 2-(1-Piperidinyl)-1-chloroethane hydrochloride Synonym
- 1-(2-Chloroethyl)piperidinium chloride Synonym
- 1-Chloro-2-(1-piperidinyl)ethane monohydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.11 g/mol | CAS Common Chemistry |
| 184.10999999999996 g/mol | RDKit | |
| 184.104 g/mol | chempirical lib | |
| Boiling Point | 196 °C | CAS Common Chemistry |
| Canonical SMILES | Cl.ClCCN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=VFLQQZCRHPIGJU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 231 °C | CAS Common Chemistry |
| Name | 1-(2-Chloroethyl)piperidine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.1329000000000002 | RDKit |
| 2.1329 | RDKit | |
| Molar Refractivity | 48.259000000000036 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 183.05815484 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
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MW = 184.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15Cl2N.
