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Home> Hot Product Listed N   > N-[3-(2,4-diamino-6-benzylpyrimidin-5-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide
2921-20-2 structure

N-[3-(2,4-diamino-6-benzylpyrimidin-5-yl)propyl]-4-methyl-N-phenylbenzenesulfonamide

CAS No.:2921-20-2
Molecular Weight:288.48908
Molecular Formula:C9H8S (isomer)
Names and Identifiers
Synonyms

AC1L7FNJ CTK4F5183 DTXSID60309480 HE288018 n-[3-(2,4-diamino-6-benzyl-pyrimidin-5-yl)propyl]-4-methyl-n-phenyl-benzenesulfonamide nsc212101 nsc-212101

Inchi
InChI=1/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18)
Canonical Smiles
CCCCCCCCCCCCCCSCC(=O)O
Properties
Melting Point
65-73℃
Boiling Point
753.2°C at 760 mmHg
Vapour
1.32E-07mmHg at 25°C
Refractive Index
1.481
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:288.48908g/mol
  • Molecular Formula:C9H8S
  • Exact Mass:288.212301
  • Monoisotopic Mass:288.212301
  • Complexity:195
  • Rotatable Bond Count:15
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:62.6
  • Heavy Atom Count:19
  • 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
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