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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 Weight:
133.622 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
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
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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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 133.622 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 133.065827064 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 | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.24 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.0382 | RDKit |
| molecular_mass | 133.62 g/mol | Legacy Database |
| cas-canonical-smile | ClC(=C(C)C)N(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H12ClN/c1-5(2)6(7)8(3)4/h1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GQIRIWDEZSKOCN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1-Chloro-N,N-2-trimethylpropenylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.914 | RDKit |
