AG001AYG

1394003-64-5 | 5-Benzyl-5-Azaspiro[2.4]Heptan-4-One

AG001AYG

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CAS Number	1394003-64-5
Catalog Number	AG001AYG(AGN-PC-0JK1II)
Chemical Name	5-Benzyl-5-Azaspiro[2.4]Heptan-4-One
IUPAC Name	5-benzyl-5-azaspiro[2.4]heptan-4-one
InChI	InChI=1S/C13H15NO/c15-12-13(6-7-13)8-9-14(12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key	ITHTZJNFRNHLRK-UHFFFAOYSA-N
MDL Number	MFCD22543883
Molecular Formula	C13H15NO
Molecular Weight	201.2643
SMILES	C(C1=CC=CC=C1)N1C(C2(CC2)CC1)=O
Synonyms	5-BENZYL-5-AZASPIRO[2.4]HEPTAN-4-ONE, 1394003-64-5, MFCD22543883, ZINC91692867, AKOS025146647, FCH2279763, AK164593, AS-41346, SC-68504, AB0050275, 5-Azaspiro[2.4]heptan-4-one, 5-(phenylmethyl)-,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.115g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.269g/mol
Monoisotopic Mass	201.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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