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Basic information

  • Name:

  • D-Alanine,N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester

  • Superlist Name:
  • Metalaxyl-M
  • CAS No.:

  • 70630-17-0

  • Formula:
  • C15H21NO4
  • Synonyms:
  • D-Alanine,N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, methyl ester (9CI);(-)-(R)-Metalaxyl;(-)-Metalaxyl;(R)-Metalaxyl;Apron XL;CGA 329351;D-(-)-Metalaxyl;Fonganil Gold;Mefenoxam;R-(-)-Metalaxyl;Ridomil Gold;Ridomil Gold Bravo;Santhal TC;Subdue Maxx;Methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-D-alaninate;Methyl N-(methoxyacetyl)-N-(2,6-xylyl)-D-alaninate;

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China (Mainland)(23)Germany(1)
Business Type:
Importer/Exporter(21)Lab/Research institutions(1)Manufacturers(1)
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Specification

The D-Alanine,N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester, with the CAS registry number 70630-17-0, is also known as Methyl N-(methoxyacetyl)-N-(2,6-xylyl)-D-alaninate. This chemical's molecular formula is C15H21NO4 and molecular weight is 279.33. What's more, its systematic name is methyl N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-D-alaninate. Its storage temperature is 0 - 6 °C.

Physical properties of D-Alanine,N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.38; (6)ACD/BCF (pH 7.4): 25.38; (7)ACD/KOC (pH 5.5): 352.31; (8)ACD/KOC (pH 7.4): 352.33; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 76.88 cm3; (15)Molar Volume: 249.8 cm3; (16)Polarizability: 30.48×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Density: 1.117 g/cm3; (19)Flash Point: 192.3 °C; (20)Enthalpy of Vaporization: 64.43 kJ/mol; (21)Boiling Point: 394.3 °C at 760 mmHg; (22)Vapour Pressure: 2E-06 mmHg at 25°C.

Preparation of D-Alanine,N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester: this chemical can be prepared by methoxyacetyl chloride and (R)-N-(2,6-Dimethylphenyl)alanin-methylester at the temperature of 20 °C. This reaction will need reagent NaHCO3 and solvent diethyl ether with the reaction time of 3 hours. The yield is about 88%.

D-Alanine,N-(2,6-dimethylphenyl)-N-(2-methoxyacetyl)-, methyl ester can be prepared by methoxyacetyl chloride and (R)-N-(2,6-Dimethylphenyl)alanin-methylester at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. If swallowed, you must seek medical advice immediately and show this container or label. It has a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(c1c(cccc1C)C)[C@@H](C(=O)OC)C)COC
(2)Std. 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
(3)Std. InChIKey: ZQEIXNIJLIKNTD-GFCCVEGCSA-N 

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