((2S)-1-(triphenylmethyl)aziridin-2-yl)methanol - ≥96% , CAS No.152706-23-5

CAS: 152706-23-5 Cat. No.: S961629 Molecular Weight: 315.400 EC Number: 959-975-4

GRADE & PURITY ≥96%

Storage

Room temperature

Specifications

Specifications & Purity

≥96%

Storage

Room temperature

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1[C@H](N1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CO
• IUPAC Name: [(2S)-1-tritylaziridin-2-yl]methanol
• InChIKey: YAFYNSAZZKZZSR-BBQAJUCSSA-N
• INCHI: 1S/C22H21NO/c24-17-21-16-23(21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21,24H,16-17H2/t21-,23?/m0/s1
• Molecular Weight: 315.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Aralkylamines Benzene and substituted derivatives 1,3-aminoalcohols Trialkylamines 1,2-aminoalcohols Aziridines Azacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Aralkylamine - Monocyclic benzene moiety - 1,3-aminoalcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Aziridine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Hydrocarbon derivative - Amine - Alcohol - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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: 315.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 315.162 Da
• Monoisotopic Mass: 315.162 Da
• Topological Polar Surface Area: 23.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 345.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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