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2-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N '-tetramethyluronium hexafluorophosphate

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Name

2-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N '-tetramethyluronium hexafluorophosphate

EINECS N/A
CAS No. 164861-52-3 Density N/A
PSA 76.85000 LogP 2.79220
Solubility N/A Melting Point 140 ºC
Formula C12H16N5O2.PF6 Boiling Point N/A
Molecular Weight 407.25 Flash Point N/A
Transport Information N/A Appearance crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 164861-52-3 (HDBTU) Hazard Symbols N/A
Synonyms

2-(3,4-dihydro-4-oxy-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium;

 

2-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N '-tetramethyluronium hexafluorophosphate Specification

     The 2-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N '-tetramethyluronium hexafluorophosphate , with the CAS register name 164861-52-3, has often been called as HDBTU. And it is also sometimes known to us as HDBTU [2-(3,4-Dihydro-4-oxy-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate] , O-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate, 94% , and so on. 

     Some properties of this chemical is as follows: (1) H bond acceptors: 7 ; (2) Freely Rotating Bonds: 2 ; (3) Polar Surface Area: 60.51 . This chemical is a kind of liquid and it belongs to the chemical category of peptide bond condensing agent. Being used in the laborary, it is usually used as the lab chemical reagent and intermeditae. 

     You could find the chemical molecular structure by using converting the following data:
SMILES:
F[P-](F)(F)(F)(F)F.O=C1N(O\C(=[N+](/C)C)N(C)C)\N=N/c2ccccc12
InChI:
InChI=1/C12H16N5O2.F6P/c1-15(2)12(16(3)4)19-17-11(18)9-7-5-6-8-10(9)13-14-17;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1

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