3-(2-Pyrrolidinyl)pyridine - CAS 5746-86-1
Catalog: |
BB029712 |
Product Name: |
3-(2-Pyrrolidinyl)pyridine |
CAS: |
5746-86-1 |
Synonyms: |
3-(2-pyrrolidinyl)pyridine; 3-pyrrolidin-2-ylpyridine |
Related CAS: | 494-97-3
|
IUPAC Name: | 3-pyrrolidin-2-ylpyridine |
Description: | (±)-Nornicotine is a metabolite of nicotine that acts as a neuronal nicotinic acetylcholine receptor (nAChR) agonist. The α6 and α7 subunit-containing neuronal nAChRs are particularly responsive to nornicotine with EC50 values of approximately 4 and 17 µM, respectively, when expressed in Xenopus oocytes. |
Molecular Weight: | 148.20 |
Molecular Formula: | C9H12N2 |
Canonical SMILES: | C1CC(NC1)C2=CN=CC=C2 |
InChI: | 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 |
InChI Key: | MYKUKUCHPMASKF-UHFFFAOYSA-N |
Boiling Point: | 107-108 ℃ / 2 mmHg |
Melting Point: | 235-236°C(Solv: ethanol (64-17-5)) |
Flash Point: | 101°C |
Purity: | ≥ 95 % |
Density: | 1.074 g/cm3 |
Solubility: | Soluble in acetone, chloroform and water (50mg/mL). |
Appearance: | Neat oil |
Storage: | 2-8°C |
Decomposition: | When heated to decomposition it emits very toxic fumes of /oxides of nitrogen and hydrochloric acid |
MDL: | MFCD00016913 |
LogP: | 1.83490 |
Refractive Index: | 1.54 |
Stability: | Hygroscopic, Light Sensitive, Moisture Sensitive |
Vapor Pressure: | 0.0097 [mmHg] |
GHS Hazard Statement: | H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111983108-A | Chiral analysis method for main alkaloids in electronic smoke sol | 20200903 |
CN-111983109-A | Chiral analysis method of alkaloid in tobacco or tobacco product | 20200903 |
WO-2021122645-A1 | Pesticidally active azole-amide compounds | 20191220 |
WO-2021121933-A1 | Method to produce a sheet of material containing alkaloids | 20191218 |
WO-2021121938-A1 | Sheet of a material containing alkaloids | 20191218 |
PMID | Publication Date | Title | Journal |
30906561 | 20190401 | Nicotine oxidation by genetic variants of CYP2B6 and in human brain microsomes | Pharmacology research & perspectives |
26536586 | 20150101 | Nornicotine and Nicotine Induced Neovascularization via Increased VEGF/PEDF Ratio | Ophthalmic research |
23100254 | 20121214 | Enantioselective demethylation of nicotine as a mechanism for variable nornicotine composition in tobacco leaf | The Journal of biological chemistry |
22580207 | 20120614 | Nornicotine application on cockroach dorsal unpaired median neurons induces two distinct ionic currents: implications of different nicotinic acetylcholine receptors | Neuroscience letters |
22119845 | 20120501 | Disentangling the nature of the nicotine stimulus | Behavioural processes |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.100048391 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 24.9 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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Pyridines
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