2-((Naphthalen-1-yloxy)methyl)oxirane - ≥96% , CAS No.2461-42-9

CAS: 2461-42-9 Cat. No.: N303185 Molecular Weight: 200.24 EC Number: 219-555-7

GRADE & PURITY ≥96%

Synonyms

CCRIS 2069 | n-pyridin-3-ylthiourea | AC-6380 | R-(-)- | 2,3-epoxy-1-(1-naphthyloxy)-propane | 2,3-epoxypropyl 1-naphthyl ether | Ethyl 2-(3-piperidinyl)acetate | FT-0634300 | GLYCIDYL .ALPHA.-NAPHTHYL ETHER | Propranolol Epoxide impurity | AKOS016037123

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

CCRIS 2069 | n-pyridin-3-ylthiourea | AC-6380 | R-(-)- | 2, 3-epoxy-1-(1-naphthyloxy)-propane | 2, 3-epoxypropyl 1-naphthyl ether | Ethyl 2-(3-piperidinyl)acetate | FT-0634300 | GLYCIDYL .ALPHA.-NAPHTHYL ETHER | Propranolol Epoxide impurity | AKOS016037123

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1C(O1)COC2=CC=CC3=CC=CC=C32
• IUPAC Name: 2-(naphthalen-1-yloxymethyl)oxirane
• InChIKey: QYYCPWLLBSSFBW-UHFFFAOYSA-N
• INCHI: 1S/C13H12O2/c1-2-6-12-10(4-1)5-3-7-13(12)15-9-11-8-14-11/h1-7,11H,8-9H2
• Isomeric SMILES: C1C(O1)COC2=CC=CC3=CC=CC=C32
• Molecular Weight: 200.24
• Reaxy-Rn: 160552
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=160552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Alkyl aryl ethers Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Alkyl aryl ether - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat sensitive
• Flash Point(°C): 152ºC
• Boil Point(°C): 338.6ºC
• Molecular Weight: 200.230 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.084 Da
• Monoisotopic Mass: 200.084 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 217.000
• 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