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Molecule
(R)-Metalaxyl
CAS: 70630-17-0 · C15H21NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 70630-17-0
- Molecular Formula
- C15H21NO4
- Molecular Mass
- 279.34 g/mol
Identifiers
CAS Registry Number
70630-17-0
SMILES
COCC(=O)N(c1c(C)cccc1C)[C@H](C)C(=O)OC
InChI Key
ZQEIXNIJLIKNTD-GFCCVEGCSA-N
InChI
InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1
Names and Synonyms
- (R)-Metalaxyl Common Name
- D-Alanine, N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester Synonym
- D-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester Synonym
- D-(-)-Metalaxyl Synonym
- (R)-Metalaxyl Synonym
- CGA 329351 Synonym
- Metalaxyl-M Synonym
- Mefenoxam Synonym
- Tega Bion Synonym
- (-)-Metalaxyl Synonym
- Ridomil Gold Synonym
- Apron XL Synonym
- R-(-)-Metalaxyl Synonym
- Ridomil Gold Bravo Synonym
- Subdue Maxx Synonym
- (-)-(R)-Metalaxyl Synonym
- Fonganil Gold Synonym
- Santhal TC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 279.34 g/mol | CAS Common Chemistry |
| 279.336 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)C(N(C(=O)COC)C=1C(=CC=CC1C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQEIXNIJLIKNTD-GFCCVEGCSA-N | CAS Common Chemistry |
| Melting Point | -38.7 °C | CAS Common Chemistry |
| Name | (R)-Metalaxyl | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 55.84 Ų | RDKit |
| 55.61 Ų | chempirical lib | |
| LogP | 1.8443400000000003 | RDKit |
| 1.8443 | RDKit | |
| Molar Refractivity | 76.75600000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4667 | RDKit |
| 0.47 | chempirical lib | |
| Exact Mass | 279.147058152 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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 |
|---|
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 = 279.34 g/mol. Edit any field — others recompute live.
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