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Mepiquat Chloride
CAS: 24307-26-4 | C7H16ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24307-26-4
Molecular Formula:
C7H16ClN
Molecular Weight:
149.66500000000002 g/mol
Names and Synonyms:
Mepiquat Chloride
BAS 083
Pix
Piperidinium, 1,1-dimethyl-, chloride (1:1)
Mepiquat chloride
BAS 08301W
CDP
Dimethylpiperidinium chloride
Pix Ultra
Megahix
Mepichlor
Mepex
Piperidinium, 1,1-dimethyl-, chloride
1,1-Dimethylpiperidinium chloride
N,N-Dimethylpiperidinium chloride
BAS 85559X
Identifiers:
SMILES:
C[N+]1(C)CCCCC1.[Cl-]
InChI:
InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 149.67 g/mol | Legacy Database |
| cas-boiling-point | 106 °C None | Legacy Database |
| cas-canonical-smile | [Cl-].C[N+]1(C)CCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=VHOVSQVSAAQANU-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 223 °C None | Legacy Database |
| cas-name | Mepiquat chloride None | Legacy Database |
| LogP | -1.749299999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.66500000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.097127192 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.69339999999999 | RDKit |
