(1R)-1-Phenyl-1,2,3,4-tetrahydroisoquinoline - ≥98% , CAS No.180272-45-1

CAS: 180272-45-1 Cat. No.: R191652 Peso molecular: 209.29 Número EC: 813-246-6 PubChem CID: 1382088

GRADE & PURITY ≥98%

Synonyms

Z1509142487 | PD119413 | Isoquinoline, 1,2,3,4-tetrahydro-1-phenyl-, (1R)- | AKOS016843427 | MFCD11858641 | SCHEMBL1668148 | DS-16690 | (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinoline | DTXSID40362553 | (R)-1-phenyl-1,2,3,4-tetrahydroisoquinoline | (R)-1-Phe

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Z1509142487 | PD119413 | Isoquinoline, 1, 2, 3, 4-tetrahydro-1-phenyl-, (1R)- | AKOS016843427 | MFCD11858641 | SCHEMBL1668148 | DS-16690 | (1R)-1-phenyl-1, 2, 3, 4-tetrahydroisoquinoline | DTXSID40362553 | (R)-1-phenyl-1, 2, 3, 4-tetrahydroisoquinoline | (R)-1-Phe

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760476
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760476
• Sonrisas canónicas: C1CNC(C2=CC=CC=C21)C3=CC=CC=C3
• IUPAC Name: (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
• InChIKey: PRTRSEDVLBBFJZ-OAHLLOKOSA-N
• INCHI: 1S/C15H15N/c1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15/h1-9,15-16H,10-11H2/t15-/m1/s1
• Isómeros SMILES: C1CN[C@@H](C2=CC=CC=C21)C3=CC=CC=C3
• PubChem CID: 1382088
• Peso molecular: 209.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrahydroisoquinolines
      • Subclass 1-phenyltetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrahydroisoquinolines
• Subclass: 1-phenyltetrahydroisoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-phenyltetrahydroisoquinolines
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-phenyltetrahydroisoquinoline - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-phenyltetrahydroisoquinolines. These are compounds containing a phenyl group attached to the C1-atom of a tetrahydroisoquinoline 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

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Punto de fusión (°C): 83 °C
• Peso molecular: 209.290 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.12 Da
• Monoisotopic Mass: 209.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 219.000
• 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