Arterolane - ≥99% , CAS No.664338-39-0

CAS: 664338-39-0 Cat. No.: A304319 Summenformel: C₂₂H₃₆N₂O₄ Molekulargewicht: 392.53

GRADE & PURITY ≥99%

Synonyms

SCHEMBL11379522 | Arterolane [INN] | HY-10852 | SCHEMBL4547841 | MS-26573 | DTXSID50985095 | 3N1TN351VB | arterolano | arterolanum | MLS001066403 | NCGC00274173-01 | AT25294 | HMS3650D13 | N-(2-amino-2-methylpropyl)-2-[(1s,4s)-dispiro[cyclohexane-1,3'-[1,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL11379522 | Arterolane [INN] | HY-10852 | SCHEMBL4547841 | MS-26573 | DTXSID50985095 | 3N1TN351VB | arterolano | arterolanum | MLS001066403 | NCGC00274173-01 | AT25294 | HMS3650D13 | N-(2-amino-2-methylpropyl)-2-[(1s,4s)-dispiro[cyclohexane-1,3'-[1,

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N
• InChIKey: VXYZBLXGCYNIHP-UHFFFAOYSA-N
• INCHI: 1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)
• Isomere SMILES: CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N
• Molekulargewicht: 392.53
• Reaxy-Rn: 21421500
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21421500&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Trioxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Trioxolanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Trioxolanes
• Alternative Parents: Secondary carboxylic acid amides Dialkyl peroxides Amino acids and derivatives Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: 1,2,4-trioxolane - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Dialkyl peroxide - Carboxylic acid derivative - Oxacycle - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as trioxolanes. These are compounds containing a five-member aliphatic saturated heterocycle made up of three oxygen atoms and two carbon atoms.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 392.500 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 392.268 Da
• Monoisotopic Mass: 392.268 Da
• Topological Polar Surface Area: 82.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 598.000
• 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: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 664338-39-0, the molecular formula is C22H36N2O4, and the molecular weight is 392.53 g/mol. InChIKey VXYZBLXGCYNIHP-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.