CAS No.: 70630-17-0 — Metalaxyl-M (-)

1. Primary Information

English name:	Metalaxyl-M
CAS No.:	70630-17-0
Molecular formula:	C₁₅H₂₁NO₄
Molecular weight:	279.33 g/mol
SMILES:	CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC
Structural class:
Other identifiers:	mefenoxam N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-D-alanine methyl ester

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in acetone	464	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	464	2-8℃	in stock	-
Kehua Intelligence	100mg	97%	1680	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	121	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	371	-20℃，避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 41 41 0 1 0 0 0 0 0999 V2000 3.8211 0.7507 0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1489 -3.4655 -0.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0191 -2.3263 0.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5373 -0.6090 -0.9841 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2638 -0.0893 0.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4767 0.5921 0.8229 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8977 0.7157 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7644 1.0786 1.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0393 1.0510 -1.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2817 2.0984 0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1396 -1.5086 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 0.1669 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 1.8460 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1477 1.8184 -1.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5866 0.6982 2.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0748 0.6410 -2.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0645 2.2159 -0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1947 -2.0547 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 0.4092 -0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3813 -4.0287 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 0.2821 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 2.6005 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1173 2.4684 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 2.4797 1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5973 2.1648 1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3114 2.1169 -2.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 1.1058 2.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4019 1.0827 3.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5826 -0.3896 2.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1569 -0.4262 -2.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 0.8167 -3.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8497 1.2208 -2.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9273 2.8139 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9838 -1.7415 0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 -1.6970 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8357 0.9425 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8474 0.7210 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1703 -0.6664 -0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1933 -3.7491 0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2816 -5.1174 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6095 -3.7008 -1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 9 14 2 0 0 0 0 9 16 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 18 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

methyl (2R)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate

4.2 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

4.3 InChIKey

ZQEIXNIJLIKNTD-GFCCVEGCSA-N

4.4 Canonical SMILES

CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC

4.5 Isomeric SMILES

CC1=C(C(=CC=C1)C)N([C@H](C)C(=O)OC)C(=O)COC

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)