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1-Chloro-N,N-2-Trimethylpropenylamine
CAS: 26189-59-3 | C6H12ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26189-59-3
Molecular Formula:
C6H12ClN
Molecular Mass:
133.62 g/mol
Names and Synonyms:
1-Chloro-N,N-2-Trimethylpropenylamine
1-Propen-1-amine, 1-chloro-N,N,2-trimethyl-
Propenylamine, 1-chloro-N,N,2-trimethyl-
1-Chloro-N,N,2-trimethyl-1-propen-1-amine
1-Chloro-N,N-2-trimethylpropenylamine
1-Chloro-1-(dimethylamino)-2-methylpropene
N-(1-Chloro-2-methylprop-1-enyl)-N,N-dimethylamine
1-Chloro-N,N,2-trimethyl-1-propenylamine
1-Chloro-N,N-dimethyl-2-methylprop-1-en-1-amine
(1-Chloro-2-methylpropenyl)dimethylamine
(1-Chloro-2-methylprop-1-en-1-yl)dimethylamine
Ghosez's reagent
1-Chloro-N,N,2-trimethylprop-1-en-1-amine
1-Chloro-N,N-dimethyl-2-methyl-1-propenylamine
Identifiers:
SMILES:
CC(C)=C(Cl)N(C)C
InChI:
InChI=1S/C6H12ClN/c1-5(2)6(7)8(3)4/h1-4H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 133.62 g/mol | CAS Common Chemistry |
| 133.622 g/mol | RDKit | |
| 133.065827064 g/mol | RDKit | |
| 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 |
| LogP | 2.0382 | RDKit |
| Molar Refractivity | 37.914 | RDKit |
