(R)-3-Hydroxymethyl-1,2,3,4-tetrahydroisoquinoline - ≥98% , CAS No.62855-02-1

CAS: 62855-02-1 Cat. No.: R194282 Molecular Weight: 163.22 EC Number: 865-009-1 PubChem CID: 723422

GRADE & PURITY ≥98%

Synonyms

AKOS015856165 | AC-23786 | (R)-1,2,3,4-Tetrahydroisoquinolin-3-yl-methanol | (R)-3-HYDROXYMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE | Oprea1_551380 | 3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-, (R)- | (R )-1,2,3,4-Tetrahydroisoquinolin-3-yl-methanol | (r)-1,

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

AKOS015856165 | AC-23786 | (R)-1, 2, 3, 4-Tetrahydroisoquinolin-3-yl-methanol | (R)-3-HYDROXYMETHYL-1, 2, 3, 4-TETRAHYDROISOQUINOLINE | Oprea1_551380 | 3-Isoquinolinemethanol, 1, 2, 3, 4-tetrahydro-, (R)- | (R )-1, 2, 3, 4-Tetrahydroisoquinolin-3-yl-methanol | (r)-1,

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C(NCC2=CC=CC=C21)CO
• IUPAC Name: [(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
• InChIKey: ZSKDXMLMMQFHGW-SNVBAGLBSA-N
• INCHI: 1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1
• Isomeric SMILES: C1[C@@H](NCC2=CC=CC=C21)CO
• PubChem CID: 723422
• Molecular Weight: 163.22

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 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroisoquinoline - Aralkylamine - Benzenoid - 1,2-aminoalcohol - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxygen compound - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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

Associated Targets(Human)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 163.220 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.1 Da
• Monoisotopic Mass: 163.1 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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