1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide

CAS Registry Number®

94790-37-1

CAS Name

1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide

Molecular Formula

C11H16N5O.F6P

Cite this Page

1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94790-37-1 (retrieved 2024-11-22) (CAS RN: 94790-37-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H16N5O.F6P/c1-13(2)11(14(3)4)15-9-7-5-6-8-10(9)16(17)12-15;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1

InChIKey

InChIKey=BSKUEERROYGAFF-UHFFFAOYSA-N

SMILES

C(N(C)C)(N(C)C)=[N+]1C=2C(N(=O)=N1)=CC=CC2.[P+5]([F-])([F-])([F-])([F-])([F-])[F-]

Canonical SMILES

O=N1=N[N+](C=2C=CC=CC21)=C(N(C)C)N(C)C.[F-][P+5]([F-])([F-])([F-])([F-])[F-]

Other Names for this Substance

  • 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, 3-oxide, hexafluorophosphate(1-) (1:1)
  • 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-, hexafluorophosphate(1-), 3-oxide
  • HBTU
  • N-HBTU
  • 1-[Bis(dimethylamino)methylene]-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide

Deleted or Replaced CAS Registry Numbers

67654-71-1, 136843-58-8, 136843-59-9, 162779-40-0, 190849-59-3, 199532-34-8, 204456-76-8, 223754-03-8, 876593-63-4, 1816253-21-0, 2098481-82-2

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