Propamocarb Hydrochloride
(right click,save link as to download,it is a temp file,please download as soon as possible, you can also use CTRL+S to save the whole html page)
Basic Info
Common Name | Propamocarb Hydrochloride(F04022) |
2D Structure | |
Description | Propamocarb hydrochloride is a carbamate pesticide. Carbamate pesticides are derived from carbamic acid and kill insects in a similar fashion as organophosphate insecticides. They are widely used in homes, gardens and agriculture. The first carbamate, carbaryl, was introduced in 1956 and more of it has been used throughout the world than all other carbamates combined. Because of carbaryl's relatively low mammalian oral and dermal toxicity and broad control spectrum, it has had wide use in lawn and garden settings. Most of the carbamates are extremely toxic to Hymenoptera, and precautions must be taken to avoid exposure to foraging bees or parasitic wasps. Some of the carbamates are translocated within plants, making them an effective systemic treatment. (L795) |
FRCD ID | F04022 |
CAS Number | 25606-41-1 |
PubChem CID | 15575641 |
Formula | C9H21ClN2O2 |
IUPAC Name | propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride |
InChI Key | MKIMSXGUTQTKJU-UHFFFAOYSA-N |
InChI | InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H |
Canonical SMILES | CCCOC(=O)NCCCN(C)C.Cl |
Isomeric SMILES | CCCOC(=O)NCCCN(C)C.Cl |
Synonyms | Propyl [3-(dimethylamino)propyl]carbamate monohydrochloride Propamocarb hydrochloride 25606-41-1 UNII-V39TC0925S W-110639 propyl [3-(dimethylamino)propyl]carbamate hydrochloride CHEBI:81735 V39TC0925S Carbamic acid, [3-(dimethylamino)propyl]-, propyl ester, monohydrochloride propyl N-[3-(dimethylamino)propyl]carbamate;hydrochloride |
Classifies | Pesticide |
Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
Kingdom | Organic compounds |
Superclass | Organic nitrogen compounds |
Class | Organonitrogen compounds |
Subclass | Amines |
Intermediate Tree Nodes | Tertiary amines |
Direct Parent | Trialkylamines |
Alternative Parents | |
Molecular Framework | Aliphatic acyclic compounds |
Substituents | Tertiary aliphatic amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Aliphatic acyclic compound |
Description | This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen. |
Properties
Property Name | Property Value |
---|---|
Molecular Weight | 224.729 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 7 |
Complexity | 138 |
Monoisotopic Mass | 224.129 |
Exact Mass | 224.129 |
Formal Charge | 0 |
Heavy Atom Count | 14 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Isotope Atom Count | 0 |
Covalently-Bonded Unit Count | 2 |
ADMET
Model | Result | Probability |
---|---|---|
Absorption | ||
Blood-Brain Barrier | BBB+ | 0.9412 |
Human Intestinal Absorption | HIA+ | 1.0000 |
Caco-2 Permeability | Caco2+ | 0.5000 |
P-glycoprotein Substrate | Non-substrate | 0.5287 |
P-glycoprotein Inhibitor | Non-inhibitor | 0.5660 |
Non-inhibitor | 0.6946 | |
Renal Organic Cation Transporter | Non-inhibitor | 0.8527 |
Distribution | ||
Subcellular localization | Lysosome | 0.6207 |
Metabolism | ||
CYP450 2C9 Substrate | Non-substrate | 0.8051 |
CYP450 2D6 Substrate | Non-substrate | 0.7652 |
CYP450 3A4 Substrate | Substrate | 0.5301 |
CYP450 1A2 Inhibitor | Non-inhibitor | 0.6696 |
CYP450 2C9 Inhibitor | Non-inhibitor | 0.8505 |
CYP450 2D6 Inhibitor | Non-inhibitor | 0.8613 |
CYP450 2C19 Inhibitor | Non-inhibitor | 0.8220 |
CYP450 3A4 Inhibitor | Non-inhibitor | 0.9016 |
CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9015 |
Excretion | ||
Toxicity | ||
Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9554 |
Non-inhibitor | 0.7451 | |
AMES Toxicity | Non AMES toxic | 0.6380 |
Carcinogens | Non-carcinogens | 0.5473 |
Fish Toxicity | High FHMT | 0.8343 |
Tetrahymena Pyriformis Toxicity | High TPT | 0.7693 |
Honey Bee Toxicity | Low HBT | 0.6370 |
Biodegradation | Not ready biodegradable | 0.9460 |
Acute Oral Toxicity | III | 0.5720 |
Carcinogenicity (Three-class) | Non-required | 0.5790 |
Model | Value | Unit |
---|---|---|
Absorption | ||
Aqueous solubility | -2.4029 | LogS |
Caco-2 Permeability | 1.0925 | LogPapp, cm/s |
Distribution | ||
Metabolism | ||
Excretion | ||
Toxicity | ||
Rat Acute Toxicity | 2.5491 | LD50, mol/kg |
Fish Toxicity | 1.6974 | pLC50, mg/L |
Tetrahymena Pyriformis Toxicity | -0.1725 | pIGC50, ug/L |
MRLs
Food | Product Code | Country | MRLs | Application Date | Notes |
---|---|---|---|---|---|
Potatoes | Canada | 0. 5mg/kg | |||
Fat Of Cattle | Canada | 0. 25mg/kg | |||
Fat Of Goats | Canada | 0. 25mg/kg | |||
Fat Of Hogs | Canada | 0. 25mg/kg | |||
Fat Of Horses | Canada | 0. 25mg/kg | |||
Fat Of Sheep | Canada | 0. 25mg/kg | |||
Liver Of Cattle | Canada | 0. 35mg/kg | |||
Liver Of Goats | Canada | 0. 35mg/kg | |||
Liver Of Hogs | Canada | 0. 35mg/kg | |||
Liver Of Horses | Canada | 0. 35mg/kg | |||
Liver Of Sheep | Canada | 0. 35mg/kg | |||
Meat Byproducts (Except Liver) Of Cattle | Canada | 0. 25mg/kg | |||
Meat Byproducts (Except Liver) Of Goats | Canada | 0. 25mg/kg | |||
Meat Byproducts (Except Liver) Of Hogs | Canada | 0. 25mg/kg | |||
Meat Byproducts (Except Liver) Of Horses | Canada | 0. 25mg/kg | |||
Meat Byproducts (Except Liver) Of Sheep | Canada | 0. 25mg/kg | |||
Meat Of Cattle | Canada | 0. 25mg/kg | |||
Meat Of Goats | Canada | 0. 25mg/kg | |||
Meat Of Hogs | Canada | 0. 25mg/kg | |||
Meat Of Horses | Canada | 0. 25mg/kg |