N-Boc-3-hydroxy-8-azabicyclo[3.2.1]octane - CAS 478837-18-2

Catalog:	BB026422
Product Name:	N-Boc-3-hydroxy-8-azabicyclo[3.2.1]octane
CAS:	478837-18-2
Synonyms:	3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester; tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
Description:	N-Boc-3-hydroxy-8-azabicyclo[3.2.1]octane (CAS# 478837-18-2) is a useful research chemical.
Molecular Weight:	227.30
Molecular Formula:	C12H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1C2CCC1CC(C2)O
InChI:	InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3
InChI Key:	SEGZJJSZYOEABC-UHFFFAOYSA-N
LogP:	1.84710

Publication Number	Title	Priority Date
WO-2021174176-A1	Pyridazine dervatives for modulating nucleic acid splicing	20200228
WO-2021161216-A1	Farnesoid x receptor modulating compounds and methods of using the same	20200211
KR-102293986-B1	Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient	20191030
KR-20210052330-A	Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient	20191030
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

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Related Functional Groups

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GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.15214353
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.15214353
Rotatable Bond Count:	2
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6