Bephenium Hydroxynaphthoate - 10mM in DMSO , CAS No.3818-50-6

CAS: 3818-50-6 Cat. No.: B580311 Summenformel: C₂₈H₂₉NO₄ Molekulargewicht: 443.53 EG-Nummer: 223-306-8

GRADE & PURITY 10mM in DMSO

Synonyms

bephenium embonate | Naftamon | Bephenium 3-hydroxy-2-naphthoate | Alcopar | BEPHENIUM HYDROXYNAPHTHOATE [WHO-IP] | Naphthammon | UNII-47RU9546DX | Bephenii hydroxynaphthoas | BEPHENIUM HYDROXYNAPHTHOATE [WHO-DD] | Bephenium hydroxynaphthoate, analytical

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Product application:

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Specifications

Synonyme

bephenium embonate | Naftamon | Bephenium 3-hydroxy-2-naphthoate | Alcopar | BEPHENIUM HYDROXYNAPHTHOATE [WHO-IP] | Naphthammon | UNII-47RU9546DX | Bephenii hydroxynaphthoas | BEPHENIUM HYDROXYNAPHTHOATE [WHO-DD] | Bephenium hydroxynaphthoate, analytical

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Kanonisches Lächeln: C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC=C2C=C(C(=CC2=C1)C(=O)O)[O-]
• IUPAC Name: benzyl-dimethyl-(2-phenoxyethyl)azanium;3-carboxynaphthalen-2-olate
• InChIKey: PMPQCPQAHTXCDK-UHFFFAOYSA-M
• INCHI: 1S/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;/p-1
• Isomere SMILES: C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC=C2C=C(C(=CC2=C1)C(=O)O)[O-]
• Molekulargewicht: 443.53
• Reaxy-Rn: 55380955
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55380955&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Phenoxides Aralkylamines Alkyl aryl ethers Vinylogous acids Tetraalkylammonium salts Carboxylic acids Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: 2-naphthalenecarboxylic acid - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Phenoxide - Monocyclic benzene moiety - Tetraalkylammonium salt - Vinylogous acid - Quaternary ammonium salt - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: insoluble in H2O; insoluble in EtOH; ≥20.85 mg/mL in DMSO
• Molekulargewicht: 443.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 443.21 Da
• Monoisotopic Mass: 443.21 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 466.000
• 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: 2

XLogP3

Häufig gestellte Fragen

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 3818-50-6, the molecular formula is C28H29NO4, and the molecular weight is 443.53 g/mol. InChIKey PMPQCPQAHTXCDK-UHFFFAOYSA-M.

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.