Toladryl - ≥98% , CAS No.19804-27-4

CAS: 19804-27-4 Cat. No.: T346624 分子式: C₁₈H₂₃NO 分子量: 269.38 PubChem CID: 19935

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504752950

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752950

カノニカル・スマイル

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

異性体SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCN(C)C

PubChem CID

19935

分子量

269.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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