AG003BB7

88056-92-2 | (3R，5S，8aR)-3-phenylhexahydro-5H-[1，3]oxazolo[3，2-a]pyridine-5-carbonitrile

AG003BB7

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CAS Number	88056-92-2
Catalog Number	AG003BB7(AGN-PC-0VIPIG)
Chemical Name	(3R，5S，8aR)-3-phenylhexahydro-5H-[1，3]oxazolo[3，2-a]pyridine-5-carbonitrile
IUPAC Name	(3R,5S,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
InChI	InChI=1S/C14H16N2O/c15-9-12-7-4-8-14-16(12)13(10-17-14)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-8,10H2/t12-,13-,14+/m0/s1
InChI Key	GQHMNZGZXHZLEN-MELADBBJSA-N
MDL Number	MFCD00142338
Molecular Formula	C14H16N2O
Molecular Weight	228.2896
SMILES	N#C[C@@H]1CCC[C@]2([H])N1[C@H](C3=CC=CC=C3)CO2
Synonyms	88056-92-2, (2S,6R,9R)-9-phenyl-7-oxa-1-azabicyclo[4.3.0]nonane-2-carbonitrile, (3R,5S,8AR)-3-phenylhexahydro-2H-oxazolo[3,2-a]pyridine-5-carbonitrile, AC1MC5QK, SCHEMBL2882752, MFCD00142338, SBB012433, ZINC19418794, AKOS005256850, (3R,5S,8aR)-(-)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile, KS-000017Z0, ST059076, C1363, C80023, (-)-5-Cyano-3-phenyl-2,3,5,6,7,8-hexahydro-5H-oxazolo[3,2-a]pyridine, (-)-2,3,5,6,7,8-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile, (3R,5S,8aR)-(-)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile, 97%, (3R,5S,8aR)-3-Phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile, (8aalpha)-3beta-Phenylhexahydro-5H-oxazolo[3,2-a]pyridine-5alpha-carbonitrile, [3R-(3|A,5|A,8a|A)]-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridin-5-carbonitrile, (3R,5S,8aR)-3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile, (-)-2-Cyano-6-phenyloxazolopiperidine, NSC375123, CID2724819, -2-CYANO-6-PHENYLOXAZOLOPIPERIDINE, (3S,5R,8aS)-(+)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile, 106565-71-3,

Complexity	315
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	228.126g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.295g/mol
Monoisotopic Mass	228.126g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number