Back to Search
Coniine
CAS: 3238-60-6 | C8H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3238-60-6
Molecular Formula:
C8H17N
Molecular Mass:
127.23 g/mol
Names and Synonyms:
Coniine
Piperidine, 2-propyl-
Piperidine, 2-propyl-, (±)-
Coniine, DL-
2-Propylpiperidine
dl-Coniine
(±)-Coniine
Identifiers:
SMILES:
CCCC1CCCCN1
InChI:
InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3
Key Properties
Boiling Point
56-60 °C @ Press: 13 Torr
CAS Common Chemistry
Melting Point
98-100 °C @ Solvent: Diethyl ether
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 | 127.23 g/mol | CAS Common Chemistry |
| 127.23100000000001 g/mol | RDKit | |
| 127.136099544 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Coniine | CAS Common Chemistry |
| Boiling Point | 56-60 °C @ Press: 13 Torr | CAS Common Chemistry |
| Canonical SMILES | N1CCCCC1CCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NDNUANOUGZGEPO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 98-100 °C @ Solvent: Diethyl ether | CAS Common Chemistry |
| Name | 2-Propylpiperidine | CAS Common Chemistry |
| Coniine | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.9286 | RDKit |
| Molar Refractivity | 40.54970000000001 | RDKit |
