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HATU

CAT: 0804-HY-Y1703-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1703-01Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HATU (1-[Bis (dimethylamino) methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium 3-oxid hexafluorophosphate) is a reagent used in peptide coupling chemistry to generate an active ester from a carboxylic acid. HATU can be used along with Hünig's base (N, N-diisopropylethylamine, DIPEA) to form amide bonds[1].
CAS Number
148893-10-1
UNSPSC
12352200
Hazard Statement
H317, H334
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
99.98
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
F[P-](F)(F)(F)(F)F.C/[N+](C)=C(N(C)C)/ON1C2=NC=CC=C2N=N1
Molecular Formula
C10H15F6N6OP
Molecular Weight
380.23
Precautions
H317, H334
References & Citations
[1]Louis A, et al. 1-Hydroxy-7-azabenzotriazole. An efficient peptide coupling additive. J. Am. Chem. Soc. 1993, 115, 10, 4397–4398
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
CAS Number148893-10-1
PubChem CID6409673
IUPAC Name[dimethylamino-(3-oxidotriazolo[4,5-b]pyridin-3-ium-1-yl)methylidene]-dimethylazanium hexafluorophosphate
Molecular FormulaC10H15F6N6OP
Molecular Weight380.23
Topological Polar Surface Area62.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity364
SMILES
CN(C)C(=[N+](C)C)N1C2=C(N=CC=C2)[N+](=N1)[O-].F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C10H15N6O.F6P/c1-13(2)10(14(3)4)15-8-6-5-7-11-9(8)16(17)12-15;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
InChIKey
FKBFHOSFPRWJNV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate
CAS: 148893-10-1
CID: 6409673
Formula: C10H15F6N6OP
MW: 380.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.23
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass380.09491509
Monoisotopic Mass380.09491509
Topological Polar Surface Area62.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity364
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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CatalogName
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