(9R)-9-(2-Pyridinyl)-6-oxaspiro[4.5]decane-9-acetonitrile - CAS 1401031-38-6

Catalog:	BB075725
Product Name:	(9R)-9-(2-Pyridinyl)-6-oxaspiro[4.5]decane-9-acetonitrile
CAS:	1401031-38-6
Synonyms:	(R)-2-(9-(Pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)acetonitrile; 2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]acetonitrile; 2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]acetonitrile; (9R)-9-(2-Pyridinyl)-6-oxaspiro[4.5]decane-9-acetonitrile; 2-((9r)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl)acetonitrile

Technical Data

IUPAC Name:	2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]acetonitrile
Description:	(9R)-9-(2-Pyridinyl)-6-oxaspiro[4.5]decane-9-acetonitrile, can be used in the synthesis of chemical compounds having therapeutic activity, such as [(3-Methoxythiophen-2-yl)methyl]({2-[(9R)9-(pyridin-2-yl)-6-oxaspiro-[4.5]decan-9-yl]ethyl})amine, that can be used for the treatment of acute pain.
Molecular Weight:	256.34
Molecular Formula:	C16H20N2O
Canonical SMILES:	C1CCC2(C1)CC(CCO2)(CC#N)C3=CC=CC=N3
InChI:	InChI=1S/C16H20N2O/c17-10-8-15(14-5-1-4-11-18-14)9-12-19-16(13-15)6-2-3-7-16/h1,4-5,11H,2-3,6-9,12-13H2/t15-/m1/s1
InChI Key:	AJVYDBCIZBRGAK-OAHLLOKOSA-N
Melting Point:	110 - 112°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	Amber Vial, -20°C Freezer, Under inert atmosphere
References:	Chen, X, et al. J. Med. Chem, Vol.56, P:8019-8031 (2013).

Complexity:	366
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	256.157563266
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.157563266
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1