N-(1-benzhydrylazetidin-3-yl)acetamide - ≥97% , CAS No.102065-87-2

CAS: 102065-87-2 Cat. No.: N637368 Molecular Weight: 280.36 PubChem CID: 13495841

GRADE & PURITY ≥97%

Synonyms

PS-16613 | N-[1-(Diphenylmethyl)-3-azetidinyl]acetamide | N-[1-(Diphenylmethyl)-3-azetidinyl]-acetamide | SY321944 | DTXSID701255651 | MFCD06808718 | SB50989 | SCHEMBL377735 | n-(1-benzhydryl-azetidin-3-yl)-acetamide | N-(1-Benzhydrylazetidin-3-yl)acetami

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

PS-16613 | N-[1-(Diphenylmethyl)-3-azetidinyl]acetamide | N-[1-(Diphenylmethyl)-3-azetidinyl]-acetamide | SY321944 | DTXSID701255651 | MFCD06808718 | SB50989 | SCHEMBL377735 | n-(1-benzhydryl-azetidin-3-yl)-acetamide | N-(1-Benzhydrylazetidin-3-yl)acetami

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: N-(1-benzhydrylazetidin-3-yl)acetamide
• InChIKey: OFNIVRIDXPYDPE-UHFFFAOYSA-N
• INCHI: 1S/C18H20N2O/c1-14(21)19-17-12-20(13-17)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3,(H,19,21)
• Isomeric SMILES: CC(=O)NC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
• Alternate CAS: 102065-87-2
• PubChem CID: 13495841
• Molecular Weight: 280.36

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: Aralkylamines Acetamides Trialkylamines Secondary carboxylic acid amides Azetidines Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - Acetamide - Amino acid or derivatives - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carbonyl group - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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: 280.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 280.158 Da
• Monoisotopic Mass: 280.158 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 321.000
• 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