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Desisopropylatrazine-d5 , CAS No.1189961-78-1

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Item Number
D649857
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D649857-1mg
1mg
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$66.90
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Isotope-Labeled Compounds (142)

Basic Description

Biochemical and Physiological Mechanisms Desisopropylatrazine-d 5 is the deuterium labeled Desisopropylatrazine.
Storage Temp Store at -20°C
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Product Description

Desisopropylatrazine-d 5 is the deuterium labeled Desisopropylatrazine.

In Vitro

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Taxonomic Classification

Taxonomy Tree

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 Secondary alkylarylamines  N-aliphatic s-triazines  Chloro-s-triazines  Aryl chlorides  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organochlorides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents 2,4-diamine-s-triazine - Chloro-s-triazine - Halo-s-triazine - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Secondary amine - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - 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

Names and Identifiers

IUPAC Name 6-chloro-2-N-(1,1,2,2,2-pentadeuterioethyl)-1,3,5-triazine-2,4-diamine
INCHI InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)/i1D3,2D2
InChIKey IVENSCMCQBJAKW-ZBJDZAJPSA-N
Smiles CCNC1=NC(=NC(=N1)N)Cl
Isomeric SMILES [2H]C([2H])([2H])C([2H])([2H])NC1=NC(=NC(=N1)N)Cl
PubChem CID 45038866
Molecular Weight 178.63

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Molecular Weight 178.630 g/mol
XLogP3 1.100
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 178.078 Da
Monoisotopic Mass 178.078 Da
Topological Polar Surface Area 76.700 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 121.000
Isotope Atom Count 5
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

Solution Calculators

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