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(-)-Benalaxyl

(-)-Benalaxyl structure

CAS No:
98243-83-5
Formula:
C20H23NO3
Chemical Name:
(-)-Benalaxyl
Synonyms:
D-Alanine,N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-,methyl ester;D-Alanine,N-(2,6-dimethylphenyl)-N-(phenylacetyl)-,methyl ester;(R)-Benalaxyl;D-Benalaxyl;Benalaxyl-M;IR 6141;(-)-Benalaxyl;Kiralaxyl;(-)-R-Benalaxyl;(R)-Methyl 2-(N-(2,6-dimethylphenyl)-2-phenylacetamido)propanoate;1135441-58-5
Categories:
Analytical Chemistry > Standard

Description

ChEBI: A methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the more active R-enantiomer of benalaxyl.

Benalaxyl-M is a methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the more active R-enantiomer of benalaxyl. It is a methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate, a D-alanine derivative, an acylamino acid fungicide and an anilide fungicide. It is an enantiomer of a (S)-benalaxyl.

(-)-Benalaxyl Basic Attributes

Molecular Weight：

325.41

Exact Mass：

325.40

EC Number：

619-330-7

UNII：

K2I4VH4B65

DSSTox ID：

DTXSID0058229

HScode：

2924299090

Characteristics

PSA：

46.6

XLogP3：

3.44060

Density：

1.131g/cm3

Boiling Point：

468.8ºC at 760mmHg

Flash Point：

237.3ºC

Refractive Index：

1.574

Safety Information

Transport codes：

UN30779/PG3

wgk germany：

hazard class code：

51/53

safety instructions：

Marks：

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H411

GHS Classification：

|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 19 companies from 1 notifications to the ECHA C&L Inventory.

(-)-Benalaxyl Use and Manufacturing

Uses

(R)-Benalaxyl is the R-enantiomer of Benalaxyl (B131900) an acylamino acid fungicide.

Use Classification：

Agrochemicals -> Fungicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Benalaxyl-M has known environmental transformation products that include Methyl-N-malonyl-N-(2,6-xylyl)-D-alaninate M7, N-malonyl-N-(2,6-xylyl)-D-alanine M3, and N-phenylacetyl-N-(2,6-xylyl)-D-alanine M9.

Computed Properties

Molecular Weight:325.4
XLogP3:3.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:325.16779360
Monoisotopic Mass:325.16779360
Topological Polar Surface Area:46.6
Heavy Atom Count:24
Complexity:421
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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