P-((Acetylamino)methyl)phosphonic acid

HCID 3017080

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Grundinformationen

CAS: 57637-97-5
Standard-SMILES: CC(=O)NCP(=O)(O)O
InChIKey: FDNUAHPLMXZWLS-UHFFFAOYSA-N
Summenformel: C3H8NO4P
Durchschnittliche Molmasse: 153,07 g/mol
Monoisotopische Masse: 153,01909437

Überblick

(acetamidomethyl)phosphonic acid is a member of the class of acetamides obtained by formal condensation of acetic acid with the amino group of (aminomethyl)phosphonic acid. It is a member of acetamides and a member of phosphonic acids. It is functionally related to an (aminomethyl)phosphonic acid. It is a conjugate acid of an (acetamidomethyl)phosphonate(1-).

Namen und Bezeichner

Bevorzugter Name: P-((Acetylamino)methyl)phosphonic acid
IUPAC: acetamidomethylphosphonic acid
Englischer Name: N-Acetylaminomethylphosphonate
Summenformel: C3H8NO4P
Molmasse: 153.07

Namen und Synonyme

57637-97-5((Acetylamino)methyl)phosphonic acidn-acetylaminomethylphosphonic acidF5QHK899XYPhosphonic acid, ((acetylamino)methyl)-DTXSID8074736[(acetylamino)methyl]phosphonic acidP-((Acetylamino)methyl)phosphonic acidP-[(Acetylamino)methyl]phosphonic acidRefChem:1094130DTXCID5042247acetamidomethylphosphonic acid

Weitere Namen anzeigen

N-Acetyl AMPAAlendronic Acid Impurity 10N-Acetylaminomethylphosphoric Acid (>N-Acetylaminomethylphosphoric Acid (>90%)C10205150 AminomethyLphosphoniCacid N-acetyAminomethyl phosphonic acid N-acetyl 100 μg/mL in Acetonitrile:Water

N-Acetylaminomethylphosphoric Acid(acetamidomethyl)phosphonic acidN-ACETYLAMINOMETHYLPHOSPHONATEacetylaminomethanephosphonic acidAminomethyl phosphonic acid N-acetylPhosphonic acid, P-[(acetylamino)methyl]-N-Acetylaminomethylphosphoric Acid (>90%)PHOSPHONIC ACID, P-((ACETYLAMINO)METHYL)-

Datenbank-Bezeichner

CAS: 57637-97-5
PubChem CID: 3017080
DTXSID: DTXSID8074736
ChEBI: CHEBI:136674
UNII: F5QHK899XY

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2,2
Polarare Oberfläche (TPSA): 86,6 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 150

Physikochemische Eigenschaften

Schmelzpunkt: 185 °C · 185 °C(Solv: methanol (67-56-1))
Dichte: 1.483 · 1.483±0.06 g/cm3(Predicted)
storage temp.: Refrigerator, Under Inert Atmosphere
Löslichkeit: Methanol (Slightly, Heated), Water (Slightly)
Aggregatzustand: Solid
pka: 2.25 · 2.25±0.10(Predicted)
Farbe: White to Light Yellow
EPA chemische Informationen: Phosphonic acid, P-[(acetylamino)methyl]- (57637-97-5)

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungN-Acetylaminomethylphosphoric Acid is a phosphonic acid that is mainly used in the field of biochemistry laboratory research. In particular, studies related to biochemistry, immunology and cell biology are often an important part of investigating the effects of phosphorylation on proteins and cellular processes. N-Acetylaminomethylphosphoric Acid is an inhibitor of protein phosphorylation that binds to the active site of a protein kinase, thereby hindering the enzyme's ability to phosphorylate its substrate.

VerwendenN-Acetylaminomethylphosphoric Acid is been found to show inhibitory properties towards ureases.