Allylamine dihydrogen phosphate

Inquiry

Molecular Formula:

C3H10NO4P

Molecular Weight:

155.09

CAS Number:

121092-93-1

Catalog Number:

121092-93-1

Product Information

Molecular Formula:

C3H10NO4P

Molecular Weight:

155.09

Description

Allylamine dihydrogen phosphate is a prominent compound extensively employed in the biomedical sector due to its remarkable antimicrobial attributes. It is widely recognized for its efficacy against various fungal infections, including dermatophytosis and candidiasis. This compound serves as a potent inhibitor of squalene epoxidase, an enzyme crucial for fungal growth and survival, making it an intriguing candidate for the treatment of such infections. Moreover, the therapeutic potential of allylamine dihydrogen phosphate extends to combating tumor progression and metastasis, exhibiting promising avenues for further research in cancer therapy.

Synonyms

phosphoricacid; prop-2-en-1-amine; Allylaminedihydrogenphosphate; SCHEMBL270146; OR208786; 121092-93-1

IUPAC Name

phosphoric acidprop-2-en-1-amine

Canonical SMILES

C=CCN.OP(=O)(O)O

InChI

InChI=1S/C3H7N.H3O4P/c1-2-3-4;1-5(2,3)4/h2H,1,3-4H2;(H3,1,2,3,4)

InChI Key

SHKWWJYVYVJJDS-UHFFFAOYSA-N

Melting Point

144-153 °C

Flash Point

Not applicable

Purity

95%

Safety Information

Hazards

H301 - H310 - H315 - H319 - H335

Precautionary Statement

P261 - P280 - P301 + P310 - P302 + P350 - P305 + P351 + P338 - P310

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

155.03474480 g/mol

Monoisotopic Mass

155.03474480 g/mol

Topological Polar Surface Area

104Å²

Heavy Atom Count

Formal Charge

Complexity

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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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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Allylamine dihydrogen phosphate

Product Information

Safety Information

Computed Properties

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