AG00IKSF

941321-23-9 | Mononickel(vi) mono(((1r,2r)-cyclohexane-1,2-diyl)bis(benzylamide)) monobromide

AG00IKSF

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CAS Number	941321-23-9
Catalog Number	AG00IKSF(AGN-PC-0WNH4B)
Chemical Name	Mononickel(vi) mono(((1r,2r)-cyclohexane-1,2-diyl)bis(benzylamide)) monobromide
IUPAC Name	benzyl-(2-benzylazanidylcyclohexyl)azanide;dibromonickel
InChI	InChI=1S/2C20H24N2.2BrH.Ni/c2*1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18;;;/h2*1-6,9-12,19-20H,7-8,13-16H2;2*1H;/q2*-2;;;+2/p-2
InChI Key	YUBKELUYFGSGFU-UHFFFAOYSA-L
MDL Number	MFCD30471675
Molecular Formula	C40H48Br2N4Ni
Molecular Weight	803.3373
SMILES	Br[Ni](N([C@]2([H])CCCC[C@]([H])2N3CC4=CC=CC=C4)CC1=CC=CC=C1)3(N([C@]6([H])CCCC[C@]([H])6N7CC8=CC=CC=C8)CC5=CC=CC=C5)7Br
Synonyms	941321-23-9, Nickel, Bis[(1R,2R)-N1,N2-bis(phenylmethyl)-1,2-cyclohexanediamine-N1,N2]dibromo-, (OC-6-12)-2, SB21964, KS-0000089H, Nickel, bis[(1R,2R)-N1,N2-bis(phenylmethyl)-1,2-cyclohexanediamine-N1,N2]dibromo-, (OC-6-12)-, Nickel, bis[(1R,2R)-N1,N2-bis(phenylmethyl)-1,2-cyclohexanediamine-?N1,?N2]dibromo-, (OC-6-12)-, Nickel, bis[(1R,2R)-N1,N2-bis(phenylmethyl)-1,2-cyclohexanediamine-|EN1,|EN2]dibromo-, (OC-6-12)-,

Complexity	618
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	802.158g/mol
Formal Charge	-4
Heavy Atom Count	47
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	803.353g/mol
Monoisotopic Mass	800.16g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	4A^2
Undefined Atom Stereocenter Count	4
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335-H350-H360
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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