(±)-Anabasine - CAS 13078-04-1
Catalog:
BB007167
Product Name:
(±)-Anabasine
CAS:
13078-04-1
Synonyms:
(+/-)-Anabasine; 3-(piperidin-2-yl)pyridine; DL-Anabasine; Rac-anabasine
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BB007167
1 g
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Related CAS: 40774-73-0 (Deleted CAS) 494-52-0 (Anabasine)
IUPAC Name: 3-piperidin-2-ylpyridine
Description: (±)-Anabasine is a a pyridine and piperidine alkaloid found in the Tree Tobacco plant. It acts as a nicotinic receptor agonist.
Molecular Weight: 162.23
Molecular Formula: C10H14N2
Canonical SMILES: C1CCNC(C1)C2=CN=CC=C2
InChI: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
InChI Key: MTXSIJUGVMTTMU-UHFFFAOYSA-N
Boiling Point: 104-105 °C
Melting Point: 92-95 °C (dec.)
Flash Point: 93°C
Density: 1.0455 g/cm3
Solubility: Soluble in most organic solvents
Appearance: Colourless oil
Storage: Keep in dark place, Inert atmosphere, 2-8°C
Decomposition: When heated to decomposition it emits toxic fumes of /nitrogen oxides
MDL: MFCD00006370
LogP: 2.22500
Refractive Index: 1.544
Stability: Darkens on exposure to air
Vapor Pressure: 0.00301 [mmHg]
GHS Hazard Statement: H300 (97.67%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement: P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word: Danger
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PMID Publication Date Title Journal
23603380 20130801 Piperidine, pyridine alkaloid inhibition of fetal movement in a day 40 pregnant goat model Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
23177980 20130201 RNAi-mediated down-regulation of ornithine decarboxylase (ODC) impedes wound-stress stimulation of anabasine synthesis in Nicotiana glauca Phytochemistry
23219611 20130201 Effect of α₇ nicotinic acetylcholine receptor agonists and antagonists on motor function in mice Toxicology and applied pharmacology
22795643 20121201 A pilot study of StopAdvisor: a theory-based interactive internet-based smoking cessation intervention aimed across the social spectrum Addictive behaviors
23001995 20121101 Derivatization of chiral carboxylic acids with (S)-anabasine for increasing detectability and enantiomeric separation in LC/ESI-MS/MS Journal of separation science
Complexity: 136
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 162.115698455
Formal Charge: 0
Heavy Atom Count: 12
Hydrogen Bond Acceptor Count: 2
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 162.115698455
Rotatable Bond Count: 1
Topological Polar Surface Area: 24.9 Å2
Undefined Atom Stereocenter Count: 1
Undefined Bond Stereocenter Count: 0
XLogP3: 1
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Pyridines
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