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8-Benzyl-8-azabicyclo[3.2.1]octan-3-one Hydrochloride

8-Benzyl-8-azabicyclo[3.2.1]octan-3-one Hydrochloride - CAS 83393-23-1

Catalog:	BB037022
Product Name:	8-Benzyl-8-azabicyclo[3.2.1]octan-3-one Hydrochloride
CAS:	83393-23-1
Synonyms:	8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-one;hydrochloride; 8-benzyl-8-azabicyclo[3.2.1]octan-3-one;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	8-benzyl-8-azabicyclo[3.2.1]octan-3-one;hydrochloride
Description:	8-Benzyl-8-azabicyclo[3.2.1]octan-3-one Hydrochloride (CAS# 83393-23-1 ) is a useful research chemical.
Molecular Weight:	251.75
Molecular Formula:	C14H18ClNO
Canonical SMILES:	C1CC2CC(=O)CC1N2CC3=CC=CC=C3.Cl
InChI:	InChI=1S/C14H17NO.ClH/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11;/h1-5,12-13H,6-10H2;1H
InChI Key:	XPIPTYACPFJRQB-UHFFFAOYSA-N
LogP:	3.12240

Publication Number	Title	Priority Date
WO-2011014098-A1	Hydrogenated pyrido[4,3-b]indole derivatives, pharmaceutical composition and methods for the production and use thereof	20090728
CA-2690606-A1	Process for preparing an intermediate to mu opioid receptor antagonists	20070720
EP-2173746-A2	Process for preparing an intermediate to mu opioid receptor antagonists	20070720
EP-2173746-B1	Process for preparing an intermediate to mu opioid receptor antagonists	20070720
EP-3037420-A1	Process for preparing an intermediate to mu opioid receptor antagonists	20070720

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.1076919
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.1076919
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0