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Molecule
Mepiquat Chloride
CAS: 24307-26-4 · C7H16ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24307-26-4
- Molecular Formula
- C7H16ClN
- Molecular Mass
- 149.67 g/mol
Identifiers
CAS Registry Number
24307-26-4
SMILES
C[N+]1(C)CCCCC1.[Cl-]
InChI Key
VHOVSQVSAAQANU-UHFFFAOYSA-M
InChI
InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1
Names and Synonyms
- Mepiquat Chloride Synonym
- BAS 083 Synonym
- Pix Synonym
- Piperidinium, 1,1-dimethyl-, chloride (1:1) Synonym
- Mepiquat chloride Synonym
- BAS 08301W Synonym
- CDP Synonym
- Dimethylpiperidinium chloride Synonym
- Pix Ultra Synonym
- Megahix Synonym
- Mepichlor Synonym
- Mepex Synonym
- Piperidinium, 1,1-dimethyl-, chloride Synonym
- 1,1-Dimethylpiperidinium chloride Synonym
- N,N-Dimethylpiperidinium chloride Synonym
- BAS 85559X Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.67 g/mol | CAS Common Chemistry |
| 149.66500000000002 g/mol | RDKit | |
| 149.665 g/mol | RDKit | |
| 149.662 g/mol | chempirical lib | |
| Boiling Point | 106 °C | CAS Common Chemistry |
| Canonical SMILES | [Cl-].C[N+]1(C)CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=VHOVSQVSAAQANU-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 223 °C | CAS Common Chemistry |
| Name | Mepiquat chloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -1.749299999999997 | RDKit |
| -1.7493 | RDKit | |
| Molar Refractivity | 35.69339999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 149.097127192 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
External Resources
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MW = 149.67 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H16ClN.
