(±)-Nornicotine - ≥98% , CAS No.5746-86-1

CAS: 5746-86-1 Cat. No.: N113829 Formula: C₉H₁₂N₂ Peso molecolare: 148.2 Beilstein Registry Number: 81968 Numero EC: 637-353-0

GRADE & PURITY ≥98%

Synonyms

(+/-)-Nornicotine | AKOS016050380 | C06524 | 2-(3-Pyridyl)pyrrolidine | 3-Pyrrolidin-2-ylpyridine, 95% | 3-(2-Pyrrolidyl)pyridine | AR1067 | DTXSID50862034 | MLS001424032 | FT-0673119 | NC00040 | Q907939 | SCHEMBL158145 | GF-0112 | NCGC00163364-01 | CCG-1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

(±)-Nornicotine can catalyze aqueous aldol reactions. It is a metabolite of Nicotine.
A metabolite of Nicotine.

Specifications

Sinonimi

(+/-)-Nornicotine | AKOS016050380 | C06524 | 2-(3-Pyridyl)pyrrolidine | 3-Pyrrolidin-2-ylpyridine, 95% | 3-(2-Pyrrolidyl)pyridine | AR1067 | DTXSID50862034 | MLS001424032 | FT-0673119 | NC00040 | Q907939 | SCHEMBL158145 | GF-0112 | NCGC00163364-01 | CCG-1

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508806856
• Sorrisi canonici: C1CC(NC1)C2=CN=CC=C2
• IUPAC Name: 3-pyrrolidin-2-ylpyridine
• InChIKey: MYKUKUCHPMASKF-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
• Isomeri SMILES: C1CC(NC1)C2=CN=CC=C2
• WGK Germania: 3
• RTECS: QS6350000
• Peso molecolare: 148.2
• Beilstein: 81968
• Reaxy-Rn: 81965
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81965&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyrrolidinylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidinylpyridines
• Alternative Parents: Aralkylamines Pyrrolidines Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrrolidinylpyridine - Aralkylamine - Heteroaromatic compound - Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrizione: 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: Pyridine alkaloids

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

Obiettivi associati (umani)

CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (2 Activities)

Discover Target: CHRNA7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACHE Tclin Acetylcholinesterase (18204 Activities)

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

CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)

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

CHRND Tclin Acetylcholine receptor protein delta chain (14 Activities)

Discover Target: CHRND

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

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

Discover Target: CHRNB2

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Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Musca domestica (713 Activities)

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Rattus norvegicus (775804 Activities)

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Chrna3 Neuronal acetylcholine receptor; alpha3/beta4 (1368 Activities)

Discover Target: Chrna3

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

Chrna3 Neuronal acetylcholine receptor (756 Activities)

Discover Target: Chrna3

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

CHRNA1 Acetylcholine receptor (120 Activities)

Discover Target: CHRNA1

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in Acetone, Chloroform and Water.
• Sensibilità: Sensitive to humidity
• Indice di rifrazione: 1.549
• Punto di infiammabilità (°F): 101℃
• Punto di infiammabilità (°C): 101℃
• Punto di ebollizione (°C): 107-108°C
• Peso molecolare: 148.200 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.1 Da
• Monoisotopic Mass: 148.1 Da
• Topological Polar Surface Area: 24.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 125.000
• 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

Riferimenti

1. Dai Yin, Jiang Wei, Zheng Yani, He Pei, Zhu Ruizhi, Fei Jianwen, Xu Wei, Liu Chunbo, Hong Junli.  (2022)  Recyclable molecularly imprinted polymers based on Fe3O4@SiO2 and PAMAM dendrimers for the determination of myosmine in cigarettes.  MICROCHIMICA ACTA,  189  (12): (1-10).  [PMID:36422716] [10.1007/s00604-022-05529-6]