AG002WWC

28863-87-8 | 1,3,7-Triazaspiro[4.4]nonane-2,4-dione, 7-(phenylmethyl)-

AG002WWC

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CAS Number	28863-87-8
Catalog Number	AG002WWC(AGN-PC-0NLE4W)
Chemical Name	1,3,7-Triazaspiro[4.4]nonane-2,4-dione, 7-(phenylmethyl)-
IUPAC Name	7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
InChI	InChI=1S/C13H15N3O2/c17-11-13(15-12(18)14-11)6-7-16(9-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,17,18)
InChI Key	RZHBDUGHJGKVFY-UHFFFAOYSA-N
MDL Number	MFCD13196848
Molecular Formula	C13H15N3O2
Molecular Weight	245.2771
SMILES	O=C(N1)NC2(CN(CC3=CC=CC=C3)CC2)C1=O
Synonyms	7-Benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione, 28863-87-8, SCHEMBL9233227, DTXSID20625198, STL301936, AKOS009122290, MCULE-8238390089, NE36037, F1905-0066, Z1268894951,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.116g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	245.282g/mol
Monoisotopic Mass	245.116g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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