(±)-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

Catalog	Size	Price	Stock	Quantity
BB007167	1 g	$680	In stock

Add to cart Inquiry

Technical Data

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

Publication Number	Title	Priority Date
WO-2021120672-A1	Plasma membrane intrinsic aquaporin for absorbing and transporting neonicotinoid insecticides, and coding gene and use therefor	20200727
WO-2021150698-A1	Nanotechnology-based pesticides and intermediates, compositions and treatments using the same	20200122
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
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