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

CAS: 35186-98-2 Cat. No.: H478990 分子式: C₁₀H₁₁NO₃ 分子量: 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

同義語

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

仕様と純度

Reagent grade

保管条件

Room temperature

等級

Reagent Grade

名前と識別子

カノニカル・スマイル

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)

異性体SMILES

C1C(NCC2=C1C=CC(=C2)O)C(=O)O

分子量

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
    • 分類 Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 引火点（°F）: Not applicable
• 引火点（°C）: Not applicable
• 分子量: 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

よくある質問

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.