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Ethyl 1-Piperidinepropanoate
CAS: 19653-33-9 | C10H19NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19653-33-9
Molecular Formula:
C10H19NO2
Molecular Mass:
185.27 g/mol
Names and Synonyms:
Ethyl 1-Piperidinepropanoate
1-Piperidinepropanoic acid, ethyl ester
1-Piperidinepropionic acid, ethyl ester
Ethyl 1-piperidinepropanoate
Ethyl 3-piperidinepropionate
NSC 75594
Ethyl 3-piperidinopropionate
Ethyl 3-(1-piperidyl)propionate
Ethyl 3-(1-piperidinyl)propanoate
1-[2-(Ethoxycarbonyl)ethyl]piperidine
Identifiers:
SMILES:
CCOC(=O)CCN1CCCCC1
InChI:
InChI=1S/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3
Key Properties
Boiling Point
>218 °C
CAS Common Chemistry
Density
0.93 g/cm³
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 | 185.27 g/mol | CAS Common Chemistry |
| 185.26699999999994 g/mol | RDKit | |
| 185.141578848 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.927 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | >218 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)CCN1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H19NO2/c1-2-13-10(12)6-9-11-7-4-3-5-8-11/h2-9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MPAWVDTVWPPKJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl 1-piperidinepropanoate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.54 Ų | RDKit |
| LogP | 1.4255000000000002 | RDKit |
| Molar Refractivity | 51.54100000000004 | RDKit |
