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3,3-Dimethylpiperidine
CAS: 1193-12-0 | C7H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1193-12-0
Molecular Formula:
C7H15N
Molecular Weight:
113.20400000000001 g/mol
Names and Synonyms:
3,3-Dimethylpiperidine
3,3-Dimethylpiperidine
Piperidine, 3,3-dimethyl-
Identifiers:
SMILES:
CC1(C)CCCNC1
InChI:
InChI=1S/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 113.20400000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 113.12044947999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.03 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.396 | RDKit |
| molecular_mass | 113.20 g/mol | Legacy Database |
| cas-boiling-point | 137 °C None | Legacy Database |
| cas-canonical-smile | N1CCCC(C)(C)C1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CDODDZJCEADUQQ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 3,3-Dimethylpiperidine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.88469999999999 | RDKit |
