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Molecule
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
Identifiers
CAS Registry Number
623580-01-8
SMILES
CC1(C)CCCN1.Cl
InChI Key
MZQJSLYOHPXTJR-UHFFFAOYSA-N
InChI
InChI=1S/C6H13N.ClH/c1-6(2)4-3-5-7-6;/h7H,3-5H2,1-2H3;1H
Names and Synonyms
- Pyrrolidine, 2,2-Dimethyl-, Hydrochloride (1:1) Synonym
- Pyrrolidine, 2,2-dimethyl-, hydrochloride (1:1) Synonym
- Pyrrolidine, 2,2-dimethyl-, hydrochloride Synonym
- 2,2-Dimethylpyrrolidine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.64 g/mol | CAS Common Chemistry |
| 135.638 g/mol | RDKit | |
| 135.635 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 135.081477128 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 135.64 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14ClN.
