AG0039PQ

561314-52-1 | 1,3,8-triazaspiro[4.5]decan-2-one

AG0039PQ

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CAS Number	561314-52-1
Catalog Number	AG0039PQ(AGN-PC-0JPWFI)
Chemical Name	1,3,8-triazaspiro[4.5]decan-2-one
IUPAC Name	1,3,8-triazaspiro[4.5]decan-2-one
InChI	InChI=1S/C7H13N3O/c11-6-9-5-7(10-6)1-3-8-4-2-7/h8H,1-5H2,(H2,9,10,11)
InChI Key	XLZONOPLKJMTSW-UHFFFAOYSA-N
MDL Number	MFCD17169839
Molecular Formula	C7H13N3O
Molecular Weight	155.1976
NSC Number	665282
SMILES	N1C(NCC12CCNCC2)=O
Synonyms	1,3,8-Triazaspiro[4.5]decan-2-one, 561314-52-1, NSC665282, 1,3,8-triaza-spiro[4.5]decan-2-one, 2,4,8-triazaspiro[4.5]decan-3-one, AC1L8EN0, AC1Q6GW8, SCHEMBL340232, CHEMBL1997292, CTK7H6296, DTXSID60327543, CS-D0364, ZINC1640491, 8203AB, MFCD17169839, AKOS016011564, FCH1141664, NSC-665282, 1,3,8-Triaza-spiro[4.5decan-2-one, AJ-28575, AK-39472, NCI60_022496, AX8168463, DB-072100, ST2402973, TX-012795, 4CH-002403, FT-0751180, Z-7085, C7H13N3O, CID379975, ACN-052346,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.106g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	155.201g/mol
Monoisotopic Mass	155.106g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	53.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number