AG00332B

331465-71-5 | 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane

AG00332B

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CAS Number	331465-71-5
Catalog Number	AG00332B(AGN-PC-0R8LJ6)
Chemical Name	2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane
IUPAC Name	2,8,9-tris(2-methylpropyl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane
InChI	InChI=1S/C18H39N4P/c1-16(2)13-20-10-7-19-8-11-21(14-17(3)4)23(20)22(12-9-19)15-18(5)6/h16-18H,7-15H2,1-6H3
InChI Key	WFHPXSHLCFHEIA-UHFFFAOYSA-N
MDL Number	MFCD03840347
Molecular Formula	C18H39N4P
Molecular Weight	342.5028
SMILES	C(C(C)C)N1P2N(CCN(CC1)CCN2CC(C)C)CC(C)C
Synonyms	331465-71-5, 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane, Triisobutylphosphatrane, 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane, 97%, MFCD03840347, ACMC-1BMUP, AC1ND8GU, [Nitrilotrisethylenetris(isobutylimino)]phosphine, SCHEMBL139612, CTK8C6089, DTXSID90404376, WFHPXSHLCFHEIA-UHFFFAOYSA-N, ZINC2513220, AKOS015912887, 4,6,11-tris(2-methylpropyl)-1,4,6,11-tetraza-5-phosphabicyclo[3.3.3]undecane, KS-0000191E, AK669516, RT-018559, I14-48396, 2,8,9-Tri-i-butyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3] undecane, 2,8,9-tri-i-butyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane, 2,8,9-triisobutyl -2,5,8,9-tetraaza-1-phospha-bicyclo[3.3.3]undecane, 2,8,9-triisobutyl-2,5,8,9-tetraaza-1-phospha-bicyclo[3.3.3]undecane, 2,8,9-triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo-[3.3.3]undecane, 2,8,9-triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3] undecane, 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane solution, 2,8,9-Tris(2-methylpropyl)-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane, 2,8,9-tris(2-methylpropyl)-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane, 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane solution, 0.5 M in diethyl ether, CID4571243, 2,8,9-Triisobutyl-2,5,8,9-tetraaza-1- phosphabicyclo[3.3.3]undecane,

Complexity	296
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	342.291g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	342.512g/mol
Monoisotopic Mass	342.291g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	13A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H227
Packing Group	Ⅲ
Precautionary statements	P210
UN Code	UN 1993

Certificate of Analysis

Lot Number