AG003BZK

105379-24-6 | (1H-Benzo[d][1,2,3]triazol-1-yl)(di(pyrrolidin-1-yl)methylene)oxonium hexafluorophosphate(V)

AG003BZK

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CAS Number	105379-24-6
Catalog Number	AG003BZK(AGN-PC-0OUMFU)
Chemical Name	(1H-Benzo[d][1,2,3]triazol-1-yl)(di(pyrrolidin-1-yl)methylene)oxonium hexafluorophosphate(V)
IUPAC Name	1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole;hexafluorophosphate
InChI	InChI=1S/C15H20N5O.F6P/c1-2-8-14-13(7-1)16-17-20(14)21-15(18-9-3-4-10-18)19-11-5-6-12-19;1-7(2,3,4,5)6/h1-2,7-8H,3-6,9-12H2;/q+1;-1
InChI Key	XKTRAGMCMJYRRN-UHFFFAOYSA-N
MDL Number	MFCD00191770
Molecular Formula	C15H20F6N5OP
Molecular Weight	431.3164
SMILES	F[P-](F)(F)(F)(F)F.N1(CCCC1)C(N2CCCC2)=[O+]N3N=NC4=CC=CC=C43
Synonyms	105379-24-6, HBPyU, (Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate, O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate, (1H-Benzo[d][1,2,3]triazol-1-yl)(di(pyrrolidin-1-yl)methylene)oxonium hexafluorophosphate(V), HBPYU, O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate, 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole hexafluorophosphate, O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate, 98%, C15H20F6N5OP, SCHEMBL19898986, DTXSID90546720, XKTRAGMCMJYRRN-UHFFFAOYSA-N, BCP22740, CH-312, MFCD00191770, AKOS004900875, AKOS024370899, AKOS027320360, AM83828, BCP9000026, MCULE-1932270360, RL00245, RTR-001122, AC-24871, AN-34018, AS-17658, SC-45086, TR-001122, FT-0652742, ST51006897, V1224, KS-00000126, M-1027, (Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexaf, A801219, I14-3108, W-200738, 1-[1-pyrrolidin-1-iumylidene(1-pyrrolidinyl)methoxy]benzotriazole hexafluorophosphate, o-(1h-benzotriazol-1-yl)-n,n,n',n'-bis(tetramethylene)uronium hexafluorophosphate, O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate, >=98.0%, 1-{[(1H-Benzotriazol-1-yl)oxy](pyrrolidin-1-yl)methylidene}pyrrolidin-1-ium hexafluorophosphate, O-(Benzotriazol-1-yl)-N,N,N inverted exclamation marka,N inverted exclamation marka-bis(tetramethylene)uronium hexafluorophosphate, B4805, (Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate (HBPyU), O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium hexafluorophosphate, 98% - 1G 1g,

Complexity	441
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	431.131g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	431.323g/mol
Monoisotopic Mass	431.131g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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