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Alachlor - analytical standard, high purity , CAS No.15972-60-8
Basic Description
Synonyms
Acetanilide, 2-chloro-2',6'-diethyl-N-(methoxymethyl)- | AI3-51506 | NCGC00090758-05 | Ralchlor | KBioGR_001109 | NCGC00259754-01 | Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)- | KBio2_002372 | Satochlor | KBio2_004940 | Pillarzo | Spectru
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Anilides
Intermediate Tree Nodes
Not available
Direct Parent
Anilides
Alternative Parents
Tertiary carboxylic acid amides Chloroacetamides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Anilide - Tertiary carboxylic acid amide - Chloroacetamide - Carboxamide group - Carboxylic acid derivative - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
External Descriptors
Anilide herbicides
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
INCHI
InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
InChIKey
XCSGPAVHZFQHGE-UHFFFAOYSA-N
Smiles
CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl
Isomeric SMILES
CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl
WGK Germany
3
RTECS
AE1225000
UN Number
2588
Packing Group
I
Molecular Weight
269.77
Beilstein
2944476
Reaxy-Rn
2944476
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2944476&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Hard to dissolve in water, soluble in ether, acetone, benzene, chloroform, and ethanol.
Sensitivity
Light sensitive.
Melt Point(°C)
40-41°C
Molecular Weight
269.770 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
269.118 Da
Monoisotopic Mass
269.118 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
248.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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10 Citations
J2225047