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110235-47-7

110235-47-7 structural image
Product Name: MEPANIPYRIM
Formula: C14H13N3
Synonyms: 4-Methyl-N-phenyl-6-(1-propynyl)-2-pyrimidinamine
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CHEMICAL AND PHYSICAL PROPERTIES

Ionization Efficiency Positive
Collision Cross Section 152.07 Ų [M+H]+ [CCS Type: TW]
Kovats Retention Index 2134 2141 2120.5

SAFETY INFORMATION

Signal word Warning
Pictogram(s)
GHS08
Health Hazard
GHS08
GHS09
Environment
GHS09
GHS Hazard Statements H351:Carcinogenicity
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P391:Collect spillage. Hazardous to the aquatic environment
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 223.27 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 223.110947427 g/mol
Monoisotopic Mass 223.110947427 g/mol
Topological Polar Surface Area 37.8 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 295
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Mepanipyrim is a member of the class of aminopyrimidines that is N-phenylpyrimidin-2-amine carrying additional methyl and 1-propynyl substituents at positions 4 and 6 respectively. A fungicide used to control a wide range of diseases including grey mould on strawberries, tomatoes and cucumabers, and scab on apples and pears. It has a role as an aryl hydrocarbon receptor agonist, a hepatotoxic agent and an antifungal agrochemical. It is an aminopyrimidine, a secondary amino compound, an acetylenic compound and an anilinopyrimidine fungicide.