(S)-Viloxazine , CAS No.52730-46-8

CAS: 52730-46-8 Cat. No.: S669177 Summenformel: C₁₃H₁₉NO₃ Molekulargewicht: 237.29

Synonyms

(S)-Viloxazine | (-)-Viloxazine | Viloxazine, (S)- | ICI-73333 | 37Z27K60U2 | (S)-2-(o-Ethoxyphenoxymethyl)morpholine | (2S)-2-[(2-ethoxyphenoxy)methyl]morpholine | Morpholine, 2-((2-ethoxyphenoxy)methyl)-, (S)- | Morpholine, 2-((2-ethoxyphenoxy)methyl)-,

Storage

Room temperature

Spezifikationen

Synonyme

(S)-Viloxazine | (-)-Viloxazine | Viloxazine, (S)- | ICI-73333 | 37Z27K60U2 | (S)-2-(o-Ethoxyphenoxymethyl)morpholine | (2S)-2-[(2-ethoxyphenoxy)methyl]morpholine | Morpholine, 2-((2-ethoxyphenoxy)methyl)-, (S)- | Morpholine, 2-((2-ethoxyphenoxy)methyl)-,

Storage

Room temperature

Produkteigenschaften

ALogP

1.5

Namen und Kennungen

Kanonisches Lächeln

CCOC1=CC=CC=C1OCC2CNCCO2

IUPAC Name

(2S)-2-[(2-ethoxyphenoxy)methyl]morpholine

InChIKey

YWPHCCPCQOJSGZ-NSHDSACASA-N

INCHI

1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3/t11-/m0/s1

Isomere SMILES

CCOC1=CC=CC=C1OC[C@@H]2CNCCO2

Molekulargewicht

237.29

Reaxy-Rn

4920380

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4920380&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Morpholines Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - Oxazinane - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Secondary amine - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 237.290 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 237.136 Da
• Monoisotopic Mass: 237.136 Da
• Topological Polar Surface Area: 39.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 213.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 52730-46-8, the molecular formula is C13H19NO3, and the molecular weight is 237.29 g/mol. InChIKey YWPHCCPCQOJSGZ-NSHDSACASA-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.