Atrazine-d , CAS No.163165-75-1

CAS: 163165-75-1 Cat. No.: A1452201 Molecular Weight: 220.71 EC Number: 685-246-2 PubChem CID: 12306645

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Atrazine-d 5 is deuterium labeled Atrazine. Atrazine is principally used for control of certain annual broadleaf and grass weeds. Atrazine inhibits photophosphorylation but typically does not result in lethality or permanent cell damage in the short term.

Specifications

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCNC1=NC(=NC(=N1)Cl)NC(C)C
• IUPAC Name: 6-chloro-4-N-(1,1,2,2,2-pentadeuterioethyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
• InChIKey: MXWJVTOOROXGIU-SGEUAGPISA-N
• INCHI: 1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)/i1D3,4D2
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])([2H])NC1=NC(=NC(=N1)Cl)NC(C)C
• WGK Germany: 3
• PubChem CID: 12306645
• Molecular Weight: 220.71

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: N-aliphatic s-triazines Chloro-s-triazines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - N-aliphatic s-triazine - Chloro-s-triazine - Halo-s-triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Amine - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
• External Descriptors: Not available

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.

DOI: 10.1186/s13321-016-0174-y