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Home> Hot Product Listed A   > AKOS009447314
1190380-65-4 structure

AKOS009447314

Iupac Name:1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-amine
CAS No.:1190380-65-4
Molecular Weight:208.309
Molecular Formula:C9H7N3O2 (isomer)
Names and Identifiers
Synonyms

4-{[1-(1h-pyrazol-1-yl)propan-2-yl]sulfamoyl}benzoic acid MCULE-4869602430 MOLPORT-019-654-579 Z414502154

Inchi
InChI=1S/C11H20N4/c1-9(2)14-5-3-11(4-6-14)15-8-10(12)7-13-15/h7-9,11H,3-6,12H2,1-2H3
InChkey
ZZQXMFFNBHDUDC-UHFFFAOYSA-N
Canonical Smiles
CC(C)N1CCC(CC1)N2C=C(C=N2)N
MSDS

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

Computational chemical data
  • Molecular Weight:208.309g/mol
  • Molecular Formula:C9H7N3O2
  • Compound Is Canonicalized:True
  • Exact Mass:208.169
  • Monoisotopic Mass:208.169
  • Complexity:199
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:47.1A^2
  • Heavy Atom Count:15
  • 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: AAADceBzgAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHAAYAAAACCjBEgQuwJNIAACi ABRnRACQBAARkgAQUCAodBAAQIJAwUAUhAgAGADAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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