Toladryl - ≥98% , CAS No.19804-27-4

CAS: 19804-27-4 Cat. No.: T346624 분자식: C₁₈H₂₃NO 분자량: 269.38 PubChem CID: 19935

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

504752950

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

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

PubChem CID

19935

분자량

269.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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