(R)-(+)-1-(2-naftil)etanol - ≥97% , CAS No.52193-85-8

CAS: 52193-85-8 Cat. No.: R160840 Peso molecular: 172.23 Beilstein Registry Number: 3195950

GRADE & PURITY ≥97%

Synonyms

(R)-(+)-alpha-Methyl-2-naphthalenemethanol | FT-0772654 | MFCD00075344 | AKOS015840846 | BDBM50183596 | (R)-(+)-2-(1-Hydroxyethyl)naphthalene | N0784 | (R)-1-(Naphthalen-2-yl)ethanol | SCHEMBL445001 | AKOS012670050 | AXRKCRWZRKETCK-SECBINFHSA-N | (R)-(+)-

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

(R)-(+)-alpha-Methyl-2-naphthalenemethanol | FT-0772654 | MFCD00075344 | AKOS015840846 | BDBM50183596 | (R)-(+)-2-(1-Hydroxyethyl)naphthalene | N0784 | (R)-1-(Naphthalen-2-yl)ethanol | SCHEMBL445001 | AKOS012670050 | AXRKCRWZRKETCK-SECBINFHSA-N | (R)-(+)-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504764422
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764422
• Sonrisas canónicas: CC(C1=CC2=CC=CC=C2C=C1)O
• IUPAC Name: (1R)-1-naphthalen-2-ylethanol
• InChIKey: AXRKCRWZRKETCK-SECBINFHSA-N
• INCHI: 1S/C12H12O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9,13H,1H3/t9-/m1/s1
• Isómeros SMILES: C[C@H](C1=CC2=CC=CC=C2C=C1)O
• WGK Alemania: 3
• Peso molecular: 172.23
• Beilstein: 3195950
• Reaxy-Rn: 1907449
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907449&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Objetivos asociados (humanos)

UGT2B7 Tchem UDP-glucuronosyltransferase 2B7 (787 Activities)

Discover Target: UGT2B7

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol,Toluene
• Rotación específica [α]: 40° (C=1,MeOH)
• Punto de fusión (°C): 68-74°C
• Peso molecular: 172.220 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 172.089 Da
• Monoisotopic Mass: 172.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 167.000
• 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