Piperoxan hydrochloride - ≥98% , CAS No.135-87-5

CAS: 135-87-5 Cat. No.: P412187 Formula: C₁₄H₂₀ClNO₂ Peso molecolare: 269.77 Numero EC: 205-222-3 PubChem CID: 101619

GRADE & PURITY ≥98%

Synonyms

FOURNEAU-933 HYDROCHLORIDE | Fourneau 933 hydrochloride | Piperoxanhydrochloride | Benzodioxane hydrochloride | SCHEMBL12503311 | AC-36835 | F85476 | Piperoxane hydrochloride | AKOS032944971 | KBio1_000338 | 1-(1,4-Benzodioxan-2-ylmethyl)piperidine hydroc

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

Piperoxan hydrochloride (Benodaine, Fourneau 933, F933, DL-Piperoxan) is an antagonist ofα2 (alpha 2) adrenoceptor.

Targets

α2 adrenoceptor

Specifications

Sinonimi

FOURNEAU-933 HYDROCHLORIDE | Fourneau 933 hydrochloride | Piperoxanhydrochloride | Benzodioxane hydrochloride | SCHEMBL12503311 | AC-36835 | F85476 | Piperoxane hydrochloride | AKOS032944971 | KBio1_000338 | 1-(1,4-Benzodioxan-2-ylmethyl)piperidine hydroc

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Piperoxan hydrochloride (Benodaine, Fourneau 933, F933, DL-Piperoxan) is an antagonist of α2 (alpha 2) adrenoceptor.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

3.082

Legame rotabile

2

Nomi e identificatori

Pubchem Sid

488187272

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187272

Sorrisi canonici

C1CCN(CC1)CC2COC3=CC=CC=C3O2.Cl

IUPAC Name

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine;hydrochloride

InChIKey

BITRJBQGQMGGQI-UHFFFAOYSA-N

INCHI

1S/C14H19NO2.ClH/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12;/h2-3,6-7,12H,1,4-5,8-11H2;1H

Isomeri SMILES

C1CCN(CC1)CC2COC3=CC=CC=C3O2.Cl

PubChem CID

101619

Peso molecolare

269.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodioxanes
      • Subclass Benzo-1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodioxanes
• Subclass: Benzo-1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzo-1,4-dioxanes
• Alternative Parents: Alkyl aryl ethers Piperidines Para dioxins Benzenoids Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Alkyl aryl ether - Benzenoid - Piperidine - Para-dioxin - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane 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

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 54 mg/mL (200.17 mM); Water: 54 mg/mL (200.17 mM); Ethanol: 40 mg/mL (148.27 mM)
• DMSO (mg/mL) Solubilità massima: 54
• DMSO (mM) Solubilità massima: 200.170515624421
• Acqua (mg/mL) Solubilità massima: 54
• Acqua (mM) Solubilità massima: 200.170515624421
• Peso molecolare: 269.770 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 269.118 Da
• Monoisotopic Mass: 269.118 Da
• Topological Polar Surface Area: 21.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 240.000
• 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: 2

XLogP3

Domande frequenti

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 135-87-5, the molecular formula is C14H20ClNO2, and the molecular weight is 269.77 g/mol. InChIKey BITRJBQGQMGGQI-UHFFFAOYSA-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.