2-Aminoethylphosphonic acid - CAS 2041-14-7
Catalog:
BB015904
Product Name:
2-Aminoethylphosphonic acid
CAS:
2041-14-7
Synonyms:
(2-Aminoethyl)phosphonic acid; Ciliatine; Phosphonoethylamine
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BB015904
5 g
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IUPAC Name: 2-aminoethylphosphonic acid
Description: 2-Aminoethylphosphonic acid is a biogenic substance and an endogenous metabolite. It also acts as a reagent in the synthesis of phosphonoxins, a new class of anti-microbial agent that also functions as an inhibitor of Giardia trophozoite growth.
Molecular Weight: 125.06
Molecular Formula: C2H8NO3P
Canonical SMILES: C(CP(=O)(O)O)N
InChI: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
InChI Key: QQVDJLLNRSOCEL-UHFFFAOYSA-N
Boiling Point: 352.5 °C at 760 mmHg
Melting Point: 296 °C
Purity: 95 %
Density: 1.482 g/cm3
Appearance: White to beige crystalline powder
MDL: MFCD00008182
LogP: -0.17690
GHS Hazard Statement: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement: P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word: Warning
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PMID Publication Date Title Journal
31420548 20190816 The predominance of nucleotidyl activation in bacterial phosphonate biosynthesis Nature communications
30810303 20190419 An Oxidative Pathway for Microbial Utilization of Methylphosphonic Acid as a Phosphate Source ACS chemical biology
30789718 20190326 A New Microbial Pathway for Organophosphonate Degradation Catalyzed by Two Previously Misannotated Non-Heme-Iron Oxygenases Biochemistry
24198335 20131119 Organophosphonate-degrading PhnZ reveals an emerging family of HD domain mixed-valent diiron oxygenases Proceedings of the National Academy of Sciences of the United States of America
22004069 20120601 Phosphite utilization by the marine picocyanobacterium Prochlorococcus MIT9301 Environmental microbiology
Complexity: 86.9
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 125.02418011
Formal Charge: 0
Heavy Atom Count: 7
Hydrogen Bond Acceptor Count: 4
Hydrogen Bond Donor Count: 3
Isotope Atom Count: 0
Monoisotopic Mass: 125.02418011
Rotatable Bond Count: 2
Topological Polar Surface Area: 83.6 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: -4.8
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