endo-8-Azabicyclo[3.2.1]octan-3-ol Hydrochloride - CAS 14383-51-8

Catalog:	BB009676
Product Name:	endo-8-Azabicyclo[3.2.1]octan-3-ol Hydrochloride
CAS:	14383-51-8
Synonyms:	8-azabicyclo[3.2.1]octan-3-ol;hydrochloride; 8-azabicyclo[3.2.1]octan-3-ol;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
Description:	Metabolite of Atropine.
Molecular Weight:	163.65
Molecular Formula:	C7H14ClNO
Canonical SMILES:	C1CC2CC(CC1N2)O.Cl
InChI:	InChI=1S/C7H13NO.ClH/c9-7-3-5-1-2-6(4-7)8-5;/h5-9H,1-4H2;1H
InChI Key:	RROJVSOIIWHLCQ-UHFFFAOYSA-N
Boiling Point:	229.6 °C at 760 mmHg
Appearance:	White powder
MDL:	MFCD01711246
LogP:	1.39250

Publication Number	Title	Priority Date
WO-2021086077-A1	Isoquinolinone derivative, preparation method therefor, and pharmaceutical composition, comprising same as active ingredient, for prevention or treatment of poly(adp-ribose)polymerase-1 (parp-1)-associated disease	20191030
US-10280175-B2	Hepatitis B antiviral agents	20160202
US-2017217974-A1	Hepatitis b antiviral agents	20160202
WO-2017136403-A1	Hepatitis b antiviral agents	20160202
AU-2015205374-B2	Bicyclic heterocyclyl derivatives as IRAK4 inhibitors	20140113

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.0763918
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	163.0763918
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0