h-7-hydroxy-D-tic-oh - Reagent grade , CAS No.35186-98-2

CAS: 35186-98-2 Cat. No.: H478990 Fórmula: C₁₀H₁₁NO₃ Peso molecular: 193.2

GRADE & PURITY Reagent Grade

Synonyms

SCHEMBL539875 | H-7-Hydroxy-Tic-OH | BCP14842 | 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid | FT-0643482 | 7-hydroxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | L-7-Hydroxy-Tic | H-7-Hydroxy-D-Tic-OH | SB21617 | HIKCRLDSCSWXML-UHFFFA

Storage

Room temperature

Specifications

Sinónimos

SCHEMBL539875 | H-7-Hydroxy-Tic-OH | BCP14842 | 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid | FT-0643482 | 7-hydroxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | L-7-Hydroxy-Tic | H-7-Hydroxy-D-Tic-OH | SB21617 | HIKCRLDSCSWXML-UHFFFA

Especificaciones y pureza

Reagent grade

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Reagent Grade

Nombres e identificadores

• Sonrisas canónicas: C1C(NCC2=C1C=CC(=C2)O)C(=O)O
• IUPAC Name: 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
• InChIKey: HIKCRLDSCSWXML-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)
• Isómeros SMILES: C1C(NCC2=C1C=CC(=C2)O)C(=O)O
• Peso molecular: 193.2
• Reaxy-Rn: 85403
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=85403&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrahydroisoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydroisoquinolines
• Alternative Parents: Alpha amino acids Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Azacycle - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Peso molecular: 193.200 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 193.074 Da
• Monoisotopic Mass: 193.074 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 231.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What does Reagent Grade mean?

Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 35186-98-2, the molecular formula is C10H11NO3, and the molecular weight is 193.2 g/mol. InChIKey HIKCRLDSCSWXML-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.