Toladryl - ≥98% , CAS No.19804-27-4

CAS: 19804-27-4 Cat. No.: T346624 Molecular Weight: 269.38 PubChem CID: 19935

GRADE & PURITY ≥98%

Synonyms

ORPHENADRINE IMPURITY F | p-Methylbenzhydryl 2-Dimethylaminoethyl Ether | Diphenhydramine Impurity B | ETHYLAMINE, N,N-DIMETHYL-2-((P-METHYL-.ALPHA.-PHENYLBENZYL)OXY)- | P9633413CU | ORPHENADRINE CITRATE IMPURITY F [EP IMPURITY] | Ethanamine, N,N-dimethyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

ORPHENADRINE IMPURITY F | p-Methylbenzhydryl 2-Dimethylaminoethyl Ether | Diphenhydramine Impurity B | ETHYLAMINE, N, N-DIMETHYL-2-((P-METHYL-.ALPHA.-PHENYLBENZYL)OXY)- | P9633413CU | ORPHENADRINE CITRATE IMPURITY F [EP IMPURITY] | Ethanamine, N, N-dimethyl

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752950
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752950
• Canonical Smiles: CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C
• IUPAC Name: N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine
• InChIKey: PJUYQWIDNIAHIZ-UHFFFAOYSA-N
• INCHI: 1S/C18H23NO/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3
• Isomeric SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C
• PubChem CID: 19935
• Molecular Weight: 269.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzylethers Toluenes Trialkylamines Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Benzylether - Toluene - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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

Chemical and Physical Properties

• Molecular Weight: 269.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 269.178 Da
• Monoisotopic Mass: 269.178 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 252.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1