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CAS No.: | 873798-09-5 |
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Name: | 2-(7-Azabenzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate |
Molecular Structure: | |
Formula: | C10H15N6O.BF4 |
Molecular Weight: | 322.07 |
Synonyms: | TATU [O-(7-Azabenzotriazole-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate;O-(7-Azabenzotriazole-1-yl)-N,N,N',N'-tetramethyluroniumtetrafluoroborate; |
EINECS: | 805-247-5 |
Melting Point: | 184 °C(dec.) |
Risk Codes: | 22-65 |
Safety: | 20-22-36/37/39 |
PSA: | 67.15000 |
LogP: | 1.66830 |
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The 2-(7-Azabenzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate, with the CAS registry number 873798-09-5, is also known as O-(7-Azabenzotriazole-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate. This chemical's molecular formula is C10H15N6O.BF4 and formula weight is 322.07. What's more, its systematic name is called [bis(dimethylamino)-(triazolo[4,5-b]pyridin-3-yl)methylene]oxonium tetrafluoroborate.
You can still convert the following datas into molecular structure:
(1)SMILES: [B-](F)(F)(F)F.CN(C)C(=[OH+])(n1c2c(cccn2)nn1)N(C)C
(2)InChI: InChI=1/C10H16N6O.BF4/c1-14(2)10(17,15(3)4)16-9-8(12-13-16)6-5-7-11-9;2-1(3,4)5/h5-7,17H,1-4H3;/q+1;-1
(3)InChIKey: RVTDYBUZXYXGEV-UHFFFAOYAQ