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Molecule
1-Chloro-N,N-2-Trimethylpropenylamine
CAS: 26189-59-3 · C6H12ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26189-59-3
- Molecular Formula
- C6H12ClN
- Molecular Mass
- 133.62 g/mol
Identifiers
CAS Registry Number
26189-59-3
SMILES
CC(C)=C(Cl)N(C)C
InChI Key
GQIRIWDEZSKOCN-UHFFFAOYSA-N
InChI
InChI=1S/C6H12ClN/c1-5(2)6(7)8(3)4/h1-4H3
Names and Synonyms
- 1-Chloro-N,N-2-Trimethylpropenylamine Synonym
- 1-Propen-1-amine, 1-chloro-N,N,2-trimethyl- Synonym
- Propenylamine, 1-chloro-N,N,2-trimethyl- Synonym
- 1-Chloro-N,N,2-trimethyl-1-propen-1-amine Synonym
- 1-Chloro-N,N-2-trimethylpropenylamine Synonym
- 1-Chloro-1-(dimethylamino)-2-methylpropene Synonym
- N-(1-Chloro-2-methylprop-1-enyl)-N,N-dimethylamine Synonym
- 1-Chloro-N,N,2-trimethyl-1-propenylamine Synonym
- 1-Chloro-N,N-dimethyl-2-methylprop-1-en-1-amine Synonym
- (1-Chloro-2-methylpropenyl)dimethylamine Synonym
- (1-Chloro-2-methylprop-1-en-1-yl)dimethylamine Synonym
- Ghosez's reagent Synonym
- 1-Chloro-N,N,2-trimethylprop-1-en-1-amine Synonym
- 1-Chloro-N,N-dimethyl-2-methyl-1-propenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.62 g/mol | CAS Common Chemistry |
| 133.622 g/mol | RDKit | |
| 133.619 g/mol | chempirical lib | |
| Canonical SMILES | ClC(=C(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12ClN/c1-5(2)6(7)8(3)4/h1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GQIRIWDEZSKOCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Chloro-N,N-2-trimethylpropenylamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 2.0382 | RDKit |
| Molar Refractivity | 37.914 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 133.065827064 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 133.62 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12ClN.
