(1α, 5α, 6α) -3- Oxabicyclo[3.1.0] hexan- 6- amine Hydrochloride - CAS 1048962-49-7

Catalog:	BB058529
Product Name:	(1α, 5α, 6α) -3- Oxabicyclo[3.1.0] hexan- 6- amine Hydrochloride
CAS:	1048962-49-7
Synonyms:	trans-6-Amino-3-oxabicyclo[3.1.0]hexane hydrochloride; (Meso-1R,5S,6r)-3-Oxabicyclo[3.1.0]Hexan-6-endo-Amine Hydrochloride; (Meso-1R,5S,6S)-3-oxabicyclo[3.1.0]hexan-6-amine HCl; trans-6-Amino-3-oxabicyclo[3.1.0]hexane HCl; trans-6-amino-3-oxabicyclo[3.1.0]hexanehydrochloride; (1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine; hydrochloride; (1R,5S,6s)-3-oxabicyclo[3.1.0]hexan-6-amine hydrochloride

Technical Data

IUPAC Name:	(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-aminehydrochloride
Description:	(1α, 5α, 6α) -3- Oxabicyclo[3.1.0] hexan- 6- amine Hydrochloride is an intermediate in preparation of piperidinyl and piperazinyl pyrazolylpyridinylmethanone antiviral agents.
Molecular Weight:	99.13 + 36.46
Molecular Formula:	C5H9NO·HCl
Canonical SMILES:	C1C2C(C2N)CO1.Cl
InChI:	InChI=1S/C5H9NO.ClH/c6-5-3-1-7-2-4(3)5/h3-5H,1-2,6H21H/t3-,4+,5?
InChI Key:	JCFIYVURKHIYFF-FLGDEJNQSA-N
References:	Banka, A., et al. PCT Int. Appl. (2011), WO 2011050284 A1 20110428..

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:	35.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0