(3-Ammoniopropyl)diisopropylphosphonium bis(tetrafluoroborate)

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Product Information

Molecular Formula:
C9H24B2F8NP
Molecular Weight:
350.88
Description
(3-Ammoniopropyl)diisopropylphosphonium bis(tetrafluoroborate) is an important building block in the organic chemical arsenal. Due to its inhibitory effect on cell malignant proliferation, the compound has shown certain efficacy in anticancer drug research.
Synonyms
(3-AMMONIOPROPYL)DIISOPROPYLPHOSPHONIUM BIS(TETRAFLUOROBORATE); 3-(DI-I-PROPYLPHOSPHONIUM)PROPYLAMMONIUM BIS(TETRAFLUOROBORATE); (3-Ammoniopropyl)diisopropylphosphonium tetrafluoroborate; (3-AMMONIOPROPYL)DIISOPROPYLPHOSPHONIUM BIS(TETRAFLUOROBORATE); 3-(DI-I-PROPYLPHOSPHONIUM)PROPYLAMMONIUM BIS(TETRAFLUOROBORATE)
IUPAC Name
3-di(propan-2-yl)phosphaniumylpropylazaniumditetrafluoroborate
Canonical SMILES
[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC(C)[PH+](CCC[NH3+])C(C)C
InChI
InChI=1S/C9H22NP.2BF4/c1-8(2)11(9(3)4)7-5-6-102*2-1(3,4)5/h8-9H,5-7,10H2,1-4H3/q2*-1/p+2
InChI Key
XOFTUYXVVIJLRD-UHFFFAOYSA-P
Melting Point
300-310 °C
Flash Point
Not applicable

Safety Information

Hazards
H314
Precautionary Statement
P280 - P305 + P351 + P338 - P310

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
5
Exact Mass
351.1704724 g/mol
Monoisotopic Mass
351.1704724 g/mol
Topological Polar Surface Area
27.6Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
103
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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