AG002IB3

189333-49-1 | 3,9-Diazaspiro[5.5]undecane, 3-(phenylmethyl)-

AG002IB3

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CAS Number	189333-49-1
Catalog Number	AG002IB3(AGN-PC-0JQZOP)
Chemical Name	3,9-Diazaspiro[5.5]undecane, 3-(phenylmethyl)-
IUPAC Name	3-benzyl-3,9-diazaspiro[5.5]undecane
InChI	InChI=1S/C16H24N2/c1-2-4-15(5-3-1)14-18-12-8-16(9-13-18)6-10-17-11-7-16/h1-5,17H,6-14H2
InChI Key	DKRVXLMWXJFVEJ-UHFFFAOYSA-N
MDL Number	MFCD11035940
Molecular Formula	C16H24N2
Molecular Weight	244.3752
SMILES	N1(CC2=CC=CC=C2)CCC3(CCNCC3)CC1
Synonyms	3-Benzyl-3,9-diazaspiro[5.5]undecane, 189333-49-1, 3-Benzyl-3,9-diaza-spiro[5.5]undecane, 3,9-Diazaspiro[5.5]undecane, 3-(phenylmethyl)-, 9-benzyl-3,9-diazaspiro[5.5]undecane, 3-(PHENYLMETHYL)-3,9-DIAZASPIRO[5.5]UNDECANE, AC1L9HXB, SCHEMBL4017996, CHEMBL1552680, CTK4E0109, DTXSID90329333, DKRVXLMWXJFVEJ-UHFFFAOYSA-N, AM811, KS-000004NP, PCOP-303431, ZINC1705552, MFCD11035940, NCGC00010916, RW3853, AKOS012210641, CB-1009, MB09031, QC-3269, RL02409, AJ-30605, AS-53478, SY027028, 3-phenylmethyl-3,9-diazaspiro[5.5]undecane, CS-0000427, MFCD11035940 (95%), 3,9-Diazaspiro[5.5]undecane,3-(phenylmethyl)-, J-511755, 3,9-Diazaspiro[5.5]undecane,3-(phenylMethyl)- hydrochloride, CID419533, NSC116047,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.194g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.382g/mol
Monoisotopic Mass	244.194g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	15.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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