Allylamine dihydrogen phosphate
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
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
4
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
155.03474480 g/mol
Monoisotopic Mass
155.03474480 g/mol
Topological Polar Surface Area
104Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
67
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
2
Compound Is Canonicalized
Yes
