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164861-52-3

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Basic Information
CAS No.: 164861-52-3
Name: HDBTU
Molecular Structure:
Molecular Structure of 164861-52-3 (HDBTU)
Formula: C12H16N5O2.PF6
Molecular Weight: 407.25
Synonyms: 2-(3,4-dihydro-4-oxy-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium;
Melting Point: 140 ºC
Appearance: crystalline powder
PSA: 76.85000
LogP: 2.79220
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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