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1-(2-Chloroethyl)Piperidine
CAS: 1932-03-2 | C7H14ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1932-03-2
Molecular Formula:
C7H14ClN
Molecular Mass:
147.65 g/mol
Names and Synonyms:
1-(2-Chloroethyl)Piperidine
Piperidine, 1-(2-chloroethyl)-
1-(2-Chloroethyl)piperidine
N-(β-Chloroethyl)piperidine
N-(2-Chloroethyl)piperidine
SKF 191
2-Piperidinoethyl chloride
2-(1-Piperidyl)ethyl chloride
β-Piperidinoethyl chloride
1-Chloro-2-piperidinoethane
N-(2-Chlorethyl)piperidine
1-Piperidino-2-chloroethane
1-(β-Chloroethyl)piperidine
2-(Piperidin-1-yl)ethyl chloride
1-(3-Chloroethyl)piperidine
2-Piperidino-1-chloroethane
2-Chloroethyl piperidine
Identifiers:
SMILES:
ClCCN1CCCCC1
InChI:
InChI=1S/C7H14ClN/c8-4-7-9-5-2-1-3-6-9/h1-7H2
Key Properties
Boiling Point
47 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
229-230 °C @ Solvent: Chloroform, Acetone
CAS Common Chemistry
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 |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.65 g/mol | CAS Common Chemistry |
| 147.64899999999997 g/mol | RDKit | |
| 147.081477128 g/mol | RDKit | |
| Boiling Point | 47 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCCN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H14ClN/c8-4-7-9-5-2-1-3-6-9/h1-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WNRWEBKEQARBKV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 229-230 °C @ Solvent: Chloroform, Acetone | CAS Common Chemistry |
| Name | 1-(2-Chloroethyl)piperidine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 |
| LogP | 1.7111 | RDKit |
| Molar Refractivity | 41.01100000000001 | RDKit |
