R-(+)-Nicotine - ≥98% , CAS No.25162-00-9

CAS: 25162-00-9 Cat. No.: R333277 Summenformel: C₁₀H₁₄N₂ Molekulargewicht: 162.23

GRADE & PURITY ≥98%

Synonyms

D-Nicotine | (+)-Nicotine | (R)-nicotine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

This is the unnatural isomer of Nicotine. This enantiomer is typically not found in tobacco plants, except for minute amounts. This is still seen in vitro to act similary as a nicotinic cholinergic receptor agonist, although it is not completely certain to what extent.

Specifications

Synonyme

D-Nicotine | (+)-Nicotine | (R)-nicotine

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528766839

Kanonisches Lächeln

CN1CCCC1C2=CN=CC=C2

IUPAC Name

3-[(2R)-1-methylpyrrolidin-2-yl]pyridine

InChIKey

SNICXCGAKADSCV-SNVBAGLBSA-N

INCHI

1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1

Isomere SMILES

CN1CCC[C@@H]1C2=CN=CC=C2

Molekulargewicht

162.23

Reaxy-Rn

82108

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82108&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyrrolidinylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyrrolidinylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidinylpyridines
• Alternative Parents: Alkaloids and derivatives Aralkylamines N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrrolidinylpyridine - Alkaloid or derivatives - Aralkylamine - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrrolidinylpyridines. These are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring.
• External Descriptors: nicotine

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

Zugehörige Ziele (menschlich)

CHRNA1 Tclin Acetylcholine receptor protein alpha chain (98 Activities)

Discover Target: CHRNA1

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)

Discover Target: CHRNB2

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Zugehörige Ziele (nicht menschlich)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

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Plasmodium falciparum (966862 Activities)

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Periplaneta americana (513 Activities)

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Musca domestica (713 Activities)

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Mus musculus (284745 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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Chrna3 Neuronal acetylcholine receptor (756 Activities)

Discover Target: Chrna3

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Dichloromethane, Ethanol and Methanol
• Empfindlichkeit: Hygroscopic
• Siedepunkt (°C): 244.4° C at 760 mmHg
• Schmelzpunkt (°C): -79° C (Predicted)
• Molekulargewicht: 162.230 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.116 Da
• Monoisotopic Mass: 162.116 Da
• Topological Polar Surface Area: 16.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• 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