Ronipamil , CAS No.85247-77-4

CAS: 85247-77-4 Cat. No.: R667928 Summenformel: C₃₂H₄₈N₂ Molekulargewicht: 460.7 PubChem CID: 65638

Synonyms

Ronipamil|Ronipamil [INN]|Ronipamilo|Ronipamilum|2-(3-(methyl(phenethyl)amino)propyl)-2-phenyltetradecanenitrile|Ronipamilum [Latin]|Ronipamilo [Spanish]|(RS)-2-(3-Methylphenethylamino)propyl)-2-phenyltetradecannitril|2-(3-(Methylphenethylamino)propyl)-2-phenyltetradecanenitrile|(+-)-2-(3-(Methylphenethylamino)propyl)-2-phenyltetradecanenitrile|2-[3-(Methyl-phenethyl-amino)-propyl]-2-phenyl-tetradecanenitrile|2-[3-[methyl(2-phenylethyl)amino]propyl]-2-phenyltetradecanenitrile|(+/-)-2-(3-(METHYLPHENETHYLAMINO)PROPYL)-2-PHENYLTETRADECANENITRILE|Benzeneacetonitrile, alpha-dodecyl-alpha-(3-(methyl(2-phenylethyl)amino)propyl)-|BENZENEACETONITRILE, .ALPHA.-DODECYL-.ALPHA.-(3-(METHYL(2-PHENYLETHYL)AMINO)PROPYL)-

Storage

Room temperature

Spezifikationen

Synonyme

Ronipamil | Ronipamil [INN] | Ronipamilo | Ronipamilum | 2-(3-(methyl(phenethyl)amino)propyl)-2-phenyltetradecanenitrile | Ronipamilum [Latin] | Ronipamilo [Spanish] | (RS)-2-(3-Methylphenethylamino)propyl)-2-phenyltetradecannitril | 2-(3-(Methylphenethylamino)propyl)-2-phenyltetradecanenitrile | (+-)-2-(3-(Methylphenethylamino)propyl)-2- Show more

Storage

Room temperature

Produkteigenschaften

ALogP

10.5

Namen und Kennungen

Kanonisches Lächeln

CCCCCCCCCCCCC(CCCN(C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2

IUPAC Name

2-[3-[methyl(2-phenylethyl)amino]propyl]-2-phenyltetradecanenitrile

InChIKey

KLBJRPVUPJXXCM-UHFFFAOYSA-N

INCHI

1S/C32H48N2/c1-3-4-5-6-7-8-9-10-11-18-25-32(29-33,31-22-16-13-17-23-31)26-19-27-34(2)28-24-30-20-14-12-15-21-30/h12-17,20-23H,3-11,18-19,24-28H2,1-2H3

Isomere SMILES

CCCCCCCCCCCCC(CCCN(C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2

PubChem CID

65638

Molekulargewicht

460.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylbutylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylbutylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbutylamines
• Alternative Parents: Phenethylamines Aralkylamines Trialkylamines Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylbutylamine - Phenethylamine - Aralkylamine - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
• 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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EBP Tchem 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase (1 Activities)

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SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (1 Activities)

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ERG2 C-8 sterol isomerase (237 Activities)

Discover Target: ERG2

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

Sigmar1 Sigma opioid receptor (160 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 460.700 g/mol
• XLogP3: 10.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 460.382 Da
• Monoisotopic Mass: 460.382 Da
• Topological Polar Surface Area: 27.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 522.000
• 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

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 85247-77-4, the molecular formula is C32H48N2, and the molecular weight is 460.7 g/mol. InChIKey KLBJRPVUPJXXCM-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.