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Home> Encyclopedia > Hot Product Listed T   > tert-Butyl 4-(3-bromo-5-methylpyridin-2-yl)piperazine-1-carboxylate
1187386-02-2 structure

tert-Butyl 4-(3-bromo-5-methylpyridin-2-yl)piperazine-1-carboxylate

Iupac Name:tert-butyl 4-(3-bromo-5-methylpyridin-2-yl)piperazine-1-carboxylate
CAS No.:1187386-02-2
Molecular Weight:356.264
Molecular Formula:C15H22BrN3O2 (isomer)
Names and Identifiers
Synonyms

A-5289 ACMC-2099Z7 AJ-96268 AK-91377 AKOS015837039 ANW-17201 AX8229792 CTK4B0851 DTXSID40675392 HE142165 I02-3284 KB-14675 mfcd12913989 or345217 ST24025923 tert-butyl4-(3-bromo-5-methylpyridin-2-yl)piperazine-1-carboxylate TR-034269 Z7981 ZINC38537905

Inchi
InChI=1S/C15H22BrN3O2/c1-11-9-12(16)13(17-10-11)18-5-7-19(8-6-18)14(20)21-15(2,3)4/h9-10H,5-8H2,1-4H3
InChkey
RTNRNZIQONRTPJ-UHFFFAOYSA-N
Canonical Smiles
CC1=CC(=C(N=C1)N2CCN(CC2)C(=O)OC(C)(C)C)Br
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:356.264g/mol
  • Molecular Formula:C15H22BrN3O2
  • Compound Is Canonicalized:True
  • Exact Mass:355.09
  • Monoisotopic Mass:355.09
  • Complexity:364
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:45.7A^2
  • Heavy Atom Count:21
  • 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: AAADceBzMAAAEAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHgBAAAABrETBmgQ/uJMIFACo AjJnfACCgCkxACQB2CAoRLiIYOLAmZGcIAhohgLIyjYQAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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