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Allidochlor Solution in Acetonitrile - 1000μg/mL in Acetonitrile,Uncertainty:2%, high purity , CAS No.93-71-0
Basic Description
Synonyms
CDAA | F2158-1328 | HSDB 1560 | 2-chloro-N,N-bis(prop-2-enyl)acetamide | Alidochlore | Allidochlor, PESTANAL(R), analytical standard | Caswell No. 284 | SCHEMBL53540 | Alidochlor | ALLIDOCHLOR [HSDB] | CP-6343 | UNII-2E0WF154QR | Q17310226 | EINECS 202-27
Specifications & Purity
1000μg/mL in Acetonitrile,Uncertainty:2%
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid amides
Direct Parent
Tertiary carboxylic acid amides
Alternative Parents
Chloroacetamides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Chloroacetamide - Tertiary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
External Descriptors
Amide 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.
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,N-bis(prop-2-enyl)acetamide
INCHI
InChI=1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2
InChIKey
MDBGGTQNNUOQRC-UHFFFAOYSA-N
Smiles
C=CCN(CC=C)C(=O)CCl
Isomeric SMILES
C=CCN(CC=C)C(=O)CCl
WGK Germany
3
UN Number
2996
Packing Group
I
Molecular Weight
173.64
Beilstein
1761616
Reaxy-Rn
1761616
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761616&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.4932
Flash Point(°C)
>100°C
Melt Point(°C)
115-117°C
Molecular Weight
173.640 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
5
Exact Mass
173.061 Da
Monoisotopic Mass
173.061 Da
Topological Polar Surface Area
20.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
146.000
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
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