2-Boc-6-oxo-2-azabicyclo[2.2.1]heptane - CAS 198835-04-0

Catalog:	BB015363
Product Name:	2-Boc-6-oxo-2-azabicyclo[2.2.1]heptane
CAS:	198835-04-0
Synonyms:	6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester; tert-butyl 6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
Description:	2-Boc-6-oxo-2-azabicyclo[2.2.1]heptane (CAS# 198835-04-0) is a useful research chemical.
Molecular Weight:	211.26
Molecular Formula:	C11H17NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC2CC1C(=O)C2
InChI:	InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)9(13)5-7/h7-8H,4-6H2,1-3H3
InChI Key:	GMFUILAFZFPFJH-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD13806381
LogP:	1.52270

Publication Number	Title	Priority Date
WO-2020099882-A1	Heterocyclic spiro-compounds as am2 receptor inhibitors	20181115
CN-113227091-A	As AM2Heterocyclic spiro-compounds as receptor inhibitors	20181115
EP-3880679-A1	Heterocyclic spiro-compounds as am2 receptor inhibitors	20181115
KR-20210102261-A	Heterocyclic spiro-compounds as AM2 receptor inhibitors	20181115
WO-2019040106-A2	COMPOUNDS, RELATED SALTS AND METHODS FOR THE TREATMENT OF DISEASES	20170821

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	305
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.12084340
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.12084340
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1