O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate

C₁₅H₂₀F₆N₅OPCAS 105379-24-6431.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₀F₆N₅OP
Molar mass: 431.32 g/mol
Exact mass: 431.1310 Da
logP: 4.50Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

105379-24-6

SMILES

C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F

InChIKey

XKTRAGMCMJYRRN-UHFFFAOYSA-N

InChI

InChI=1S/C15H20N5O.F6P/c1-2-8-14-13(7-1)16-17-20(14)21-15(18-9-3-4-10-18)19-11-5-6-12-19;1-7(2,3,4,5)6/h1-2,7-8H,3-6,9-12H2;/q+1;-1

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Names and synonyms

1 names

(Benzotriazol-1-yloxy)dipyrrolidinocarbenium hexafluorophosphate

Work with O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate

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

(Benzotriazol-1-yloxy)dipiperidinocarbenium hexafluorophosphate190849-64-098 % similar PyBOP128625-52-557 % similar Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate56602-33-650 % similar Bis(hydroxybenzotriazolyl) carbonate88544-01-844 % similar Hdbtu164861-52-342 % similar N,N,N',N'-Bis(tetramethylene)-O-(N-succinimidyl)uronium Hexafluorophosphate207683-26-941 % similar ((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate156311-83-041 % similar (6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate893413-42-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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