(R)-Di-2-Naphthylprolinol - ≥95% , CAS No.130798-48-0

CAS: 130798-48-0 Cat. No.: R190507 Peso molecular: 353.46 Número EC: 959-364-2

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1CC(NC1)C(C2=CC3=CC=CC=C3C=C2)(C4=CC5=CC=CC=C5C=C4)O
• IUPAC Name: dinaphthalen-2-yl-[(2R)-pyrrolidin-2-yl]methanol
• InChIKey: LNUDNNFEXRHHGY-XMMPIXPASA-N
• INCHI: 1S/C25H23NO/c27-25(24-10-5-15-26-24,22-13-11-18-6-1-3-8-20(18)16-22)23-14-12-19-7-2-4-9-21(19)17-23/h1-4,6-9,11-14,16-17,24,26-27H,5,10,15H2/t24-/m1/s1
• Isómeros SMILES: C1C[C@@H](NC1)C(C2=CC3=CC=CC=C3C=C2)(C4=CC5=CC=CC=C5C=C4)O
• Peso molecular: 353.46
• Reaxy-Rn: 10582961
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10582961&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aralkylamines Tertiary alcohols Pyrrolidines 1,2-aminoalcohols Dialkylamines Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Aralkylamine - Pyrrolidine - Tertiary alcohol - 1,2-aminoalcohol - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Aromatic alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Propiedades químicas y físicas

• Peso molecular: 353.500 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 353.178 Da
• Monoisotopic Mass: 353.178 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 471.000
• 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