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(1R,4R)-2-Oxa-5-azabicyclo[2.2.1]heptane Hydrochloride

(1R,4R)-2-Oxa-5-azabicyclo[2.2.1]heptane Hydrochloride - CAS 601515-79-1

Catalog:	BB056706
Product Name:	(1R,4R)-2-Oxa-5-azabicyclo[2.2.1]heptane Hydrochloride
CAS:	601515-79-1
Synonyms:	(1R,4R)-2-Oxa-5-azabicyclo[2.2.1]heptane Hydrochloride (1:1)

Technical Data

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Computed Properties

IUPAC Name:	(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptanehydrochloride
Description:	(1R,4R)-2-Oxa-5-azabicyclo[2.2.1]heptane Hydrochloride, can be used as an intermediate for the synthesis of biologically active compounds, including inhibitors.
Molecular Weight:	135.59
Molecular Formula:	C5H10ClNO
Canonical SMILES:	C1C2CNC1CO2.Cl
InChI:	InChI=1S/C5H9NO.ClH/c1-4-3-7-5(1)2-6-4/h4-6H,1-3H21H/t4-,5-/m1./s1
InChI Key:	ZFOKPFPITUUCJX-TYSVMGFPSA-N
References:	Portoghese, P. S., et al. J. Med. Chem., 14, 288 (1971).

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	84.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	135.0450916
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	135.0450916
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0