endo-8-Azabicyclo[3.2.1]octan-3-ol - CAS 538-09-0

Catalog:	BB028353
Product Name:	endo-8-Azabicyclo[3.2.1]octan-3-ol
CAS:	538-09-0
Synonyms:	(1R,5S)-8-azabicyclo[3.2.1]octan-3-ol; (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol

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Computed Properties

IUPAC Name:	(1S,5R)-8-azabicyclo[3.2.1]octan-3-ol
Description:	A metabolite of Atropine.
Molecular Weight:	127.18
Molecular Formula:	C7H13NO
Canonical SMILES:	C1CC2CC(CC1N2)O
InChI:	InChI=1S/C7H13NO/c9-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2/t5-,6+,7?
InChI Key:	YYMCYJLIYNNOMK-MEKDEQNOSA-N
Boiling Point:	229.6 °C
Density:	1.096 g/cm³
MDL:	MFCD00047140
LogP:	0.59050

Publication Number	Title	Priority Date
CN-111393432-A	Method for preparing nor-tropine through alcohol precipitation	20200409
US-2021230112-A1	Nanomaterials	20200109
CN-110981875-A	Atropine hapten, synthetic method thereof, antigen, antibody and application	20191210
CN-110981875-B	Atropine hapten, synthetic method thereof, antigen, antibody and application	20191210
WO-2021104441-A1	Polyaromatic compound as egfr kinase inhibitor	20191129

PMID	Publication Date	Title	Journal
29148806	20171228	Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH)	Journal of medicinal chemistry
21735067	20110901	Determination of the concentration of nitrogenous bio-organic compounds using an isotope ratio mass spectrometer operating in continuous flow mode	Analytical and bioanalytical chemistry
20024532	20100201	Determination of the natural abundance delta15N of nortropane alkaloids by gas chromatography-isotope ratio mass spectrometry of their ethylcarbamate esters	Analytical and bioanalytical chemistry
18850743	20081121	A scalable synthesis of an azabicyclooctanyl derivative, a novel DPP-4 inhibitor	The Journal of organic chemistry
18799813	20080701	Tropane alkaloids as medicinally useful natural products and their synthetic derivatives as new drugs	Pharmacological reports : PR

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P312, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	127.099714038
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	127.099714038
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3