5-Hydroxymethylisoquinoline - ≥95% , CAS No.76518-57-5

CAS: 76518-57-5 Cat. No.: H186486 Formule: C₁₀H₉NO Poids moléculaire: 159.2

GRADE & PURITY ≥95%

Synonyms

EN300-196269 | 5-Isoquinolinemethanol | A865471 | HSPKIXPRSRGOQK-UHFFFAOYSA-N | 5-(hydroxymethyl)isoquinoline | Isoquinolin-5-ylmethanol | MFCD03840599 | FT-0694766 | (Isoquinolin-5-yl)methanol | 5-HYDROXYMETHYLISOQUINOLINE | J-521583 | D75714 | SCHEMBL84

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonymes

EN300-196269 | 5-Isoquinolinemethanol | A865471 | HSPKIXPRSRGOQK-UHFFFAOYSA-N | 5-(hydroxymethyl)isoquinoline | Isoquinolin-5-ylmethanol | MFCD03840599 | FT-0694766 | (Isoquinolin-5-yl)methanol | 5-HYDROXYMETHYLISOQUINOLINE | J-521583 | D75714 | SCHEMBL84

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Sourires canoniques

C1=CC2=C(C=CN=C2)C(=C1)CO

IUPAC Name

isoquinolin-5-ylmethanol

InChIKey

HSPKIXPRSRGOQK-UHFFFAOYSA-N

INCHI

1S/C10H9NO/c12-7-9-3-1-2-8-6-11-5-4-10(8)9/h1-6,12H,7H2

Isomères SMILES

C1=CC2=C(C=CN=C2)C(=C1)CO

Poids moléculaire

159.2

Reaxy-Rn

11472698

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11472698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 159.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.068 Da
• Monoisotopic Mass: 159.068 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• 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: 1

Foire aux 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 in a cool place, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 76518-57-5, the molecular formula is C10H9NO, and the molecular weight is 159.2 g/mol. InChIKey HSPKIXPRSRGOQK-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.