Back to Search
Pyrrolidine, 2,2-Dimethyl-, Hydrochloride (1:1)
CAS: 623580-01-8 | C6H14ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
623580-01-8
Molecular Formula:
C6H14ClN
Molecular Mass:
135.64 g/mol
Names and Synonyms:
Pyrrolidine, 2,2-Dimethyl-, Hydrochloride (1:1)
Pyrrolidine, 2,2-dimethyl-, hydrochloride (1:1)
Pyrrolidine, 2,2-dimethyl-, hydrochloride
2,2-Dimethylpyrrolidine hydrochloride
Identifiers:
SMILES:
CC1(C)CCCN1.Cl
InChI:
InChI=1S/C6H13N.ClH/c1-6(2)4-3-5-7-6;/h7H,3-5H2,1-2H3;1H
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 | 135.64 g/mol | CAS Common Chemistry |
| 135.638 g/mol | RDKit | |
| 135.081477128 g/mol | RDKit | |
| Canonical SMILES | Cl.N1CCCC1(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H13N.ClH/c1-6(2)4-3-5-7-6;/h7H,3-5H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=MZQJSLYOHPXTJR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pyrrolidine, 2,2-dimethyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.5702 | RDKit |
| Molar Refractivity | 38.5637 | RDKit |
