Grundinformationen
- Standard-SMILES
Cc1cc(C)c(N)cn1- InChIKey
SHSQTJRJQHPJRQ-UHFFFAOYSA-N- Summenformel
- C7H10N2
- Durchschnittliche Molmasse
- 122,17 g/mol
- Monoisotopische Masse
- 122,08439832
Namen und Bezeichner
- Bevorzugter Name
- 4,6-Dimethylpyridin-3-amine
- IUPAC
- 4,6-dimethylpyridin-3-amine
- Englischer Name
- 3-Amino-4,6-dimethylpyridine
- Summenformel
- C7H10N2
- Molmasse
- 122.17
Namen und Synonyme
1193-71-14,6-dimethylpyridin-3-amine5-Amino-2,4-dimethylpyridine3-AMINO-4,6-DIMETHYLPYRIDINE4,6-dimethyl-3-pyridinamine3-PYRIDINAMINE, 4,6-DIMETHYL-MFCD07439969CHEMBL48603785A-DMP4,6-dimethyl-3-pyridylamineF1957-0017SCHEMBL4152897
Weitere Namen anzeigen
EOS-60840IFLAB-BB F1957-00172,4-dimethyl-5-aminopyridine3-Amino-4,6-dimethylpyridine 97%5-Amino-2,4-dimethylpyridine 97%
4,6-Dimethyl-pyridin-3-ylamineDTXSID904276465-Amino-2,4-lutidineSCHEMBL30197278SHSQTJRJQHPJRQ-UHFFFAOYSA-NSMSSF-0044248BDBM50578341SBB051865
Datenbank-Bezeichner
- CAS
1193-71-1- PubChem CID
- 7060669
- DTXSID
DTXSID90427646- ChEMBL
CHEMBL4860378- Nikkaji
- J3.777.892C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 38,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 92,9
Physikochemische Eigenschaften
- Schmelzpunkt
- 68 °C · 68 °C
- Siedepunkt
- 255 · 255-257 °C
- Dichte
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- 24 mg/mL · DMSO: 24 mg/mL (196.45 mM);Ethanol: 24 mg/mL (196.45 mM)
- Aggregatzustand
- Solid
- pka
- 7.54 · 7.54±0.18(Predicted)
- Farbe
- Off-white to yellow
- Wasserlöslichkeit
- 24 mg/mL · Water: 24 mg/mL (196.45 mM)
- CAS Datenbank
- 1193 · 1193-71-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsdaten
- hs_code
- 2933399990
- hazard_code
- Xi
- hazard_note
- Irritant
Chemie und Industrie
Anwendungen
Verwenden3-Amino-4,6-dimethylpyridine is a potent inhibitor of quinolines and thiazolopyridines. It has been shown to be an allosteric inhibitor of cellular quinoline and thiazolopyridine metabolism which leads to its high potency in cells. 3-Amino-4,6-dimethylpyridine selectively inhibits the activity of these enzymes without affecting other metabolic pathways. Oral dosing results in rapid absorption and a half life of about 2 hours.
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