Octahydrocyclopenta[b]morpholine - CAS 1018639-83-2

Catalog:	BB058563
Product Name:	Octahydrocyclopenta[b]morpholine
CAS:	1018639-83-2
Synonyms:	Octahydrocyclopent[b]-1,4-oxazine; 2,3,4,4a,5,6,7,7a-Octahydrocyclopenta[b][1,4]oxazine; Octahydrocyclopenta[b][1,4]oxazine

Technical Data

IUPAC Name:	2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
Description:	Octahydrocyclopenta[b]morpholine is used as a reactant in the preparation of novel 4-(substituted amino)-7H-pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors, useful in treating Parkinson's disease.
Molecular Weight:	127.2
Molecular Formula:	C7H13NO
Canonical SMILES:	C1CC2C(C1)OCCN2
InChI:	InChI=1S/C7H13NO/c1-2-6-7(3-1)9-5-4-8-6/h6-8H,1-5H2
InChI Key:	FVHPPCBSLJVBQR-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Light Yellow to Yellow Oil
Storage:	4°C
References:	Galatsis, P., et al. U.S. Pat. Appl. Publ. (2014), US 20140005183 A1 20140102..

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.099714038
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.099714038
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4