(1R,1'R)-1,1',2,2',3,3',4,4'-octahydro-1,1'-biisoquinoline - ≥97%(HPLC),≥98%(ee) , CAS No.634180-49-7

CAS: 634180-49-7 Cat. No.: R406965 Molecular Weight: 264.37 PubChem CID: 11265561

GRADE & PURITY ≥97%(HPLC),≥98%(ee)

Synonyms

(1R,1'R)-1,1',2,2',3,3',4,4'-Octahydro-1,1'-biisoquinoline | E84950 | SCHEMBL24017043 | (1R)-1-[(1R)-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL]-1,2,3,4-TETRAHYDROISOQUINOLINE | 1,1'-Biisoquinoline, 1,1',2,2',3,3',4,4'-octahydro-, (1R,1'R)- | DTXSID70460596 | BS-

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

(1R, 1'R)-1, 1', 2, 2', 3, 3', 4, 4'-Octahydro-1, 1'-biisoquinoline | E84950 | SCHEMBL24017043 | (1R)-1-[(1R)-1, 2, 3, 4-TETRAHYDROISOQUINOLIN-1-YL]-1, 2, 3, 4-TETRAHYDROISOQUINOLINE | 1, 1'-Biisoquinoline, 1, 1', 2, 2', 3, 3', 4, 4'-octahydro-, (1R, 1'R)- | DTXSID70460596 | BS-

Specifications & Purity

≥97%(HPLC), ≥98%(ee)

Storage

Store at 2-8°C, Argon charged, Desiccated

Shipped In

Wet ice

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

Purity

≥97%(HPLC), ≥98%(ee)

Names and Identifiers

• Canonical Smiles: C1CNC(C2=CC=CC=C21)C3C4=CC=CC=C4CCN3
• IUPAC Name: (1R)-1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline
• InChIKey: NDHNLLQPMVDMRO-QZTJIDSGSA-N
• INCHI: 1S/C18H20N2/c1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18/h1-8,17-20H,9-12H2/t17-,18-/m1/s1
• Isomeric SMILES: C1CN[C@H](C2=CC=CC=C21)[C@H]3C4=CC=CC=C4CCN3
• PubChem CID: 11265561
• Molecular Weight: 264.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrahydroisoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydroisoquinolines
• Alternative Parents: Aralkylamines Benzenoids Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroisoquinoline - Aralkylamine - Benzenoid - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
• 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: 264.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 264.163 Da
• Monoisotopic Mass: 264.163 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 297.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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