Ormetoprim - ≥98%(HPLC)(T) , CAS No.6981-18-6

CAS: 6981-18-6 Cat. No.: O159934 Formule: C₁₄H₁₈N₄O₂ Poids moléculaire: 274.32 Numéro CE: 230-246-6

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

5-(4,5-dimethoxy-2-methyl-benzyl)-pyrimidine-2,4-diamine | 5-(4,5-dimethoxy-2-methylbenzyl)pyrimidine-2,4-diamine | AS-71719 | 2,4-Diamino-5-(4,5-dimethoxy-2-methylbenzyl)pyrimidin | O0424 | Ormetoprime (INN-French) | 5-(4,5-dimethoxy-2-methylbenzyl)-2,4-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

5-(4,5-dimethoxy-2-methyl-benzyl)-pyrimidine-2,4-diamine | 5-(4,5-dimethoxy-2-methylbenzyl)pyrimidine-2,4-diamine | AS-71719 | 2,4-Diamino-5-(4,5-dimethoxy-2-methylbenzyl)pyrimidin | O0424 | Ormetoprime (INN-French) | 5-(4,5-dimethoxy-2-methylbenzyl)-2,4-

Spécifications et pureté

≥98%(HPLC)(T)

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(HPLC)(T)

Noms et identifiants

• Pubchem Sid: 504753125
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753125
• Sourires canoniques: CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OC
• IUPAC Name: 5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
• InChIKey: KEEYRKYKLYARHO-UHFFFAOYSA-N
• INCHI: 1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)
• Isomères SMILES: CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OC
• Poids moléculaire: 274.32
• Reaxy-Rn: 760209
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=760209&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Toluenes Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Toluene - Pyrimidine - Imidolactam - Heteroaromatic compound - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Primary amine - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.609
• Point d'éclair (°C): 269.2°C
• Point d'ébullition (°C): 521.5°C at 760 mmHg
• Point de fusion (°C): 233°C
• Poids moléculaire: 274.320 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 274.143 Da
• Monoisotopic Mass: 274.143 Da
• Topological Polar Surface Area: 96.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 305.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6981-18-6, the molecular formula is C14H18N4O2, and the molecular weight is 274.32 g/mol. InChIKey KEEYRKYKLYARHO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.