AG00DG53

500360-86-1 | 3,9-Diazaspiro[5.5]undecan-2-one, 9-(phenylmethyl)-

AG00DG53

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CAS Number	500360-86-1
Catalog Number	AG00DG53(AGN-PC-0JO3F5)
Chemical Name	3,9-Diazaspiro[5.5]undecan-2-one, 9-(phenylmethyl)-
IUPAC Name	3-benzyl-3,9-diazaspiro[5.5]undecan-10-one
InChI	InChI=1S/C16H22N2O/c19-15-12-16(6-9-17-15)7-10-18(11-8-16)13-14-4-2-1-3-5-14/h1-5H,6-13H2,(H,17,19)
InChI Key	NDDZYCRYGWSPSJ-UHFFFAOYSA-N
MDL Number	MFCD13180661
Molecular Formula	C16H22N2O
Molecular Weight	258.3587
NSC Number	116048
SMILES	O=C1CC2(CCN1)CCN(Cc3ccccc3)CC2
Synonyms	9-Benzyl-3,9-diazaspiro[5.5]undecan-2-one, 500360-86-1, MLS002706635, 9-benzyl-3,9-diazaspiro[5.5]undecan-2-on, NSC116048, AC1Q6GWM, AC1L6R6N, 3,9-Diazaspiro[5.5]undecan-2-one, 9-(phenylmethyl)-, CHEMBL1895255, SCHEMBL13818191, CTK4J1994, KS-00001CE6, ZINC1705553, ZX-RL005473, MFCD13180661, AKOS025149799, FCH2718279, KS-7200, NSC-116048, AM805426, OR306360, SMR001574036, CS-0000426, 9-benzyl-3,9-diazaspiro[5.5]undecan-4-one, 3-Benzyl-3,9-diazaspiro[5.5]undecan-10-one, 9-Benzyl-3,9-diazaspiro[5.5]undecane-2-one, W-4489, 3,9-Diazaspiro[5.5]undecan-2-one,9-(phenylmethyl)-, AR-1H5460, CID272012, 5055-46-9,

Complexity	315
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.173g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.365g/mol
Monoisotopic Mass	258.173g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
UN Code

Certificate of Analysis

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