Grundinformationen
- Standard-SMILES
S=C([S-])N1CCCC1.[NH4+]- InChIKey
MDDIUTVUBYEEEM-UHFFFAOYSA-N- Summenformel
- C5H12N2S2
- Durchschnittliche Molmasse
- 164,3 g/mol
Überblick
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Namen und Bezeichner
- Bevorzugter Name
- Ammonium pyrrolidinedithiocarbamate
- IUPAC
- azanium pyrrolidine-1-carbodithioate
- Lokaler Name
- Ammoniumpyrrolidin-1-carbodithioat
- Englischer Name
- Ammonium 1-pyrrolidinedithiocarbamate
- Summenformel
- C5H9NS2.H3N
- Molmasse
- 164.3
Namen und Synonyme
5108-96-3Ammonium pyrrolidinedithiocarbamateAmmonium 1-PyrrolidinedithiocarbamatePyrrolidinedithiocarbamate ammoniumapdc1-Pyrrolidinecarbodithioic acid ammonium salt1-Pyrrolidinecarbodithioicacid, ammonium salt (1:1)1-Pyrrolidinecarbodithioic acid, ammonuim saltHMS3266N09HMS3675D15AC2534AKOS000121506
Weitere Namen anzeigen
APDTCPYRROLIDINEDITHIOCARBAMATEAPCDAMMONIUM 1-PYRROLIDINECARBODITHIOATEammonium pyrrolidine-1-carbodithioatePDTC, NH4APDC, PDTC
CCG-222337NCGC00261718-01P 8765SCHEMBL463334azanium;pyrrolidine-1-carbodithioatePyrrolidine-N-dithiocarbamic acid ammonium saltazanium pyrrolidine-1-carbodithioateBCP24770
Datenbank-Bezeichner
- CAS
5108-96-3- PubChem CID
- 517348
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 91,1
Experimentelle und physikochemische Eigenschaften
Solubility16.6 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Schmelzpunkt
- 153 · 153-155 °C(lit.)
- Dichte
- 1.117 · 1.117 (estimate)
- Brechungsindex
- 1.53 · 1.5300 (estimate)
- storage temp.
- 2 °C · Store at +2°C to +8°C.
- Löslichkeit
- 190 g/l · 190g/l
- Aggregatzustand
- Powder/Solid
- Farbe
- White to off-white
- PH
- 6 · 6-7 (50g/l, H2O, 20℃)
- Biologische Quelle
- microbial
- Wasserlöslichkeit
- 50 g/L · 50 g/L (20 ºC)
- BRN
- 3730472 · 3730472
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3
- InChIKey
- MDDIUTVUBYEEEM-UHFFFAOYSA-N
- SMILES
- N.SC(=S)N1CCCC1
- CAS Datenbank
- 5108 · 5108-96-3(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Pyrrolidinecarbodithioic acid, ammonium salt (5108-96-3)
Sicherheit und Regulatorisches
Sicherheitsdaten
- F
- 3
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339990
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungPyrrolidinedithiocarbamic acid (PDTC) is a metal chelating compound that potently and reversibly inhibits NF-κB activation in vitro (100 μM). At 300 μM, it prevents TNF-α gene expression and protein production in human monocytes after LPS application. In vascular smooth muscle cells, PDTC (10 μM) arrests the cell cycle at the G1 phase with upregulation of p21Cip1 through the p38 MAPK pathway. PDTC (100 μM) also has antioxidant properties.
Verwenden1-Pyrrolidinecarbodithioic Acid induces apoptosis in rat smooth muscle cells and inhibits apoptosis in leukemia HL-60 cells. It also prevents induction of nitric oxide synthetase by inhibiting translation of NOS mRNA;
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