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Metalaxyl

CAT: 0024-sc-257699CSize: 10 gDry Ice: NoHazardous: No
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CAT#:0024-sc-257699CSize:10 g
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CAS Number
57837-19-1

Chemical Information

Metalaxyl

Methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)alaninate is an alanine derivative that is methyl alaninate in which one of the hydrogens attached to the nitrogen is substituted by a methoxyacetyl group, while the other is substituted by a 2,6-dimethylphenyl group. It is an alanine derivative, a methyl ester, an ether, a carboxamide and an aromatic amide.

CAS Number57837-19-1
PubChem CID42586
IUPAC Namemethyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
Molecular FormulaC15H21NO4
Molecular Weight279.33
XLogP1.6
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity335
SMILES
CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC
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
InChIKey
ZQEIXNIJLIKNTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metalaxyl
CAS: 57837-19-1
CID: 42586
Formula: C15H21NO4
MW: 279.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.33
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass279.14705815
Monoisotopic Mass279.14705815
Topological Polar Surface Area55.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-B0843-01Metalaxyl
CS-T-80624Metalaxyl-M
CS-O-40407(S) -Metalaxyl
016089Metalaxyl-d6
TRC-M258743-25MGMetalaxyl-13C6

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