(+/-)-Anabasine - CAS 40774-73-0

Catalog:	BB054627
Product Name:	(+/-)-Anabasine
CAS:	40774-73-0
Synonyms:	3-(piperidin-2-yl)pyridine; Anabasine; DL-Anabasine; 2-Pyridin-3-ylpiperidine; (S)-3-(2-Piperidinyl)pyridine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-piperidin-2-ylpyridine
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:	96°C at 12 mm Hg(lit.)
Melting Point:	9°C
Purity:	95%
Density:	1.05 g/mL at 25 °C(lit.)
Appearance:	Colorless liquid, Darkens on exposure to air
Decomposition:	When heated to decomposition it emits toxic fumes of /nitrogen oxides
Stability:	Darkens on exposure to air
Vapor Pressure:	0.00301 [mmHg]

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Related Functional Groups

Piperidines

[821768-09-6]
1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
[2091522-65-3]
tert-butyl 3-cyano-5-hydroxypiperidine-1-carboxylate
[2355617-42-2]
3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)cyclobutane-1-carboxylic acid
[1189664-19-4]
Ethyl 1-(3-chlorobenzyl)piperidine-3-carboxylate hydrochloride
[1172760-90-5]
Ethyl 1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylate
[1006334-33-3]
Ethyl 1-[(1-ethyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxylate

Pyridines

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[14993-80-7]
2-(6-Methylpyridin-2-yl)acetonitrile
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[76167-49-2]
2-(Pyridin-3-yloxy)aniline
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[942206-23-7]
2,5-Dichloro-3-iodopyridine

GHS Hazard Statement:	H300 (97.78%): Fatal if swallowed [Danger Acute toxicity, oral]; H315 (88.89%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (88.89%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

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
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1