1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)

CAS Registry Number®

330645-87-9

CAS Name

1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)

Molecular Formula

C11H15ClN5O.F6P

Cite this Page

1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=330645-87-9 (retrieved 2024-12-12) (CAS RN: 330645-87-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H15ClN5O.F6P/c1-14(2)11(15(3)4)16-9-6-5-8(12)7-10(9)17(18)13-16;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1

InChIKey

InChIKey=AFTGMAUNHUBGAW-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N1=N[N+](C=2C=CC(Cl)=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]-5-chloro-, 3-oxide, hexafluorophosphate(1-) (1:1)
  • 1H-Benzotriazolium, 1-[bis(dimethylamino)methylene]-5-chloro-, hexafluorophosphate(1-), 3-oxide
  • 1-[Bis(dimethylamino)methylene]-5-chloro-1H-benzotriazolium 3-oxide hexafluorophosphate(1-) (1:1)
  • HCTU

Deleted or Replaced CAS Registry Numbers

490019-20-0, 1692086-44-4

CAS INSIGHTSTM
Abstract molecules design, Atoms, Medical background