Tendor - ≥95% , CAS No.2514-89-8

CAS: 2514-89-8 Cat. No.: T1315286 PubChem CID: 644021

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CN(CC2=CC=CC=C21)C(=N)N.OS(=O)(=O)O
• IUPAC Name: 3,4-dihydro-1H-isoquinoline-2-carboximidamide;sulfuric acid
• InChIKey: SVYNLIRHKQCPNE-UHFFFAOYSA-N
• INCHI: 1S/C10H13N3.H2O4S/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)
• Isomeric SMILES: C1CN(CC2=CC=CC=C21)C(=N)N.OS(=O)(=O)O
• Alternate CAS: 581-88-4
• PubChem CID: 644021
• NSC Number: 139330
• MeSH Entry Terms: Debrisoquin;Debrisoquine;Tendor

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: Organic sulfuric acids Benzenoids Guanidines Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroisoquinoline - Sulfuric acid - Benzenoid - Organic sulfuric acid or derivatives - Guanidine - Azacycle - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Imine - 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: 273.310 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 273.078 Da
• Monoisotopic Mass: 273.078 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 284.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2514-89-8. InChIKey SVYNLIRHKQCPNE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.