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Metalaxyl
CAS: 57837-19-1 | C15H21NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
57837-19-1
Molecular Formula:
C15H21NO4
Molecular Mass:
279.34 g/mol
Names and Synonyms:
Metalaxyl
Alanine, N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester
Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester
DL-Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester
CGA 48988
Ridomil
Metalaxyl
Metalaxil
Subdue
Metaxanine
CG 117
Metanaxin
Metasyl
Apron FL
Apron
Apron SD 35
Apron 350FW
Ridomil Vino
Apron 35WS
IPO-FS
Jiashuangling
Apron 35J
Methyl N-methoxyacetyl-N-(2,6-dimethylphenyl)-DL-alaninate
Apron TL
(±)-Metalaxyl
Allegiance
Ridomil 72WP
Krilaxyl
Fonganil Neu
Sebring
Himil Gold
Acceleron DX 309
Acceleron DC 309
Allegiance FL
Axyl-Shield ST
RuiDuTong
Identifiers:
SMILES:
COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC
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
Key Properties
Boiling Point
295.9 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
71-72 °C
CAS Common Chemistry
Density
1.20 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 279.34 g/mol | CAS Common Chemistry |
| 279.336 g/mol | RDKit | |
| 279.147058152 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.20 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Metalaxyl | CAS Common Chemistry |
| Boiling Point | 295.9 °C @ Press: 760 Torr | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQEIXNIJLIKNTD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 71-72 °C | CAS Common Chemistry |
| Name | 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 |
| LogP | 1.8443400000000003 | RDKit |
| Molar Refractivity | 76.75600000000004 | RDKit |
