2-(7-Azabenzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate

C₁₀H₁₅BF₄N₆OCAS 873798-09-5322.07 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₅BF₄N₆O
Molar mass: 322.07 g/mol
Exact mass: 322.1337 Da
logP: 0.74Crippen estimate
Polar surface area: 59.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Danger

H228 Flammable solid28.6% of notifiers
H302 Harmful if swallowed85.7% of notifiers
H314 Causes severe skin burns and eye damage42.9% of notifiers
H315 Causes skin irritation28.6% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

873798-09-5

SMILES

[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1

InChIKey

AUPDFAPCZZXFMX-UHFFFAOYSA-N

InChI

InChI=1S/C10H15N6O.BF4/c1-14(2)10(15(3)4)17-16-9-8(12-13-16)6-5-7-11-9;2-1(3,4)5/h5-7H,1-4H3;/q+1;-1

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Names and synonyms

1 names

O-(7-Azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate

Work with 2-(7-Azabenzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate125700-69-864 % similar Hdbtu164861-52-352 % similar 2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate125700-71-247 % similar (7-Azabenzotriazol-1-yloxy)tris(dimethylamino)phosphonium Hexafluorophosphate156311-85-245 % similar ((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate156311-83-039 % similar O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate125700-67-635 % similar 1-Hydroxy-7-azabenzotriazole39968-33-735 % similar 2-(2,5-Dioxopyrrolidin-1-yl)-1,1,3,3-tetramethylisouronium tetrafluoroborate105832-38-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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