Chemische Enzyklopädie   /  Pharmaceutical Intermediates
4-AMINO-1-ISOPROPYL-1H-PYRAZOL structure

4-AMINO-1-ISOPROPYL-1H-PYRAZOL

 
1. Namen und Bezeichner
1.1 Produktname
4-AMINO-1-ISOPROPYL-1H-PYRAZOL
1.2 Synonyme
4-AMINO-1-ISOPROPYL-1H-PYRAZOLE;1-isopropyl-1H-pyrazol-4-amine;1-isopropyl-1H-pyrazol-4-amine(SALTDATA: HCl);1-isopropyl-1H-pyrazol-4-amine 1HCl;4-AMINO-1-ISOPROPYL-1H-PYRAZOLE HCL
1.3 CAS No.
97421-16-4
1.4 CID
13469826
1.5 Summenformel
C6H11N3
1.6 Inchi
InChI=1S/C6H11N3/c1-5(2)9-4-6(7)3-8-9/h3-5H,7H2,1-2H3
1.7 InchiKey
OEXNVHXUPNHOPP-UHFFFAOYSA-N
1.8 Kanonisch SMILES
CC(C)N1C=C(C=N1)N
1.9 Isomere SMILES
CC(C)N1C=C(C=N1)N
2. Eigenschaften
2.1 pKa
3.74±0.10(Predicted)
3. SDB-Informationen

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Synthetischer Weg.
97421-16-4Total: 2 Synthetischer Weg.
 
75-30-9
75-30-9 57 Lieferanten
 
97421-16-4
97421-16-4 11 Lieferanten
 
97421-21-1
97421-21-1 2 Lieferanten
 
97421-16-4
97421-16-4 11 Lieferanten
5. Vorläufer und Produkt
Vorläufer:
6. Computerchemische Daten
  • Molecular Weight:125.17g/mol
  • Molecular Formula:C6H11N3
  • Compound Is Canonicalized:True
  • Exact Mass:0.3
  • XLogP3-AA:125.095297364
  • Monoisotopic Mass:125.095297364
  • Complexity:92.3
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:43.8
  • Heavy Atom Count::9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADccBjAAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAYAAAACCjBEgQuwJJIAACiABRnRACQBAARkgAQUCAodBAAQIBAQUAUhAgAGADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Toltal 11 Lieferanten Mehr anzeigen
Tel: Update Time:2014/09/14
Tel: Update Time:2019/02/25
Tel: Update Time:2019/02/23
Tel: Update Time:2019/02/25
Tel: Update Time:2019/02/25
8. Realisierte Produktinformationen
 
 
 
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