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HBTU

CAT: 0926-FH07095-01Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FH07095-01Size:1 Kg
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CAS Number
94790-37-1
Synonyms
N, N, N', N'-Tetramethyl-O- (1H-benzotriazol-1-yl) uronium hexafluorophosphate; O- (Benzotriazol-1-yl) -N, N, N', N'-tetramethyluronium hexafluorophosphate
MDL Number
MFCD00075445
Smiles
CN (C) C (=[N+] (C) C) ON1C2=CC=CC=C2N=N1.F[P-] (F) (F) (F) (F) F
Molecular Formula
C11H16F6N5OP
Molecular Weight
379.24 g/mol
Controlled
No

Chemical Information

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

activator for peptide synthesis

CAS Number94790-37-1
PubChem CID51341376
IUPAC Name[dimethylamino-(3-oxidobenzotriazol-3-ium-1-yl)methylidene]-dimethylazanium hexafluorophosphate
Molecular FormulaC11H16F6N5OP
Molecular Weight379.24
Topological Polar Surface Area49.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity363
SMILES
CN(C)C(=[N+](C)C)N1C2=CC=CC=C2[N+](=N1)[O-].F[P-](F)(F)(F)(F)F
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
BSKUEERROYGAFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Bis(dimethylamino)methylene)-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide
CAS: 94790-37-1
CID: 51341376
Formula: C11H16F6N5OP
MW: 379.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.24
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass379.09966612
Monoisotopic Mass379.09966612
Topological Polar Surface Area49.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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