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

CAS: 180272-45-1 Cat. No.: R191652 Molecular Weight: 209.29 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760476
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760476
• Canonical Smiles: 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
• Isomeric SMILES: C1CN[C@@H](C2=CC=CC=C21)C3=CC=CC=C3
• PubChem CID: 1382088
• Molecular Weight: 209.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 83 °C
• Molecular Weight: 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