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Home> Hot Product Listed M   > MOLPORT-005-977-983
1175712-34-1 structure

MOLPORT-005-977-983

Iupac Name:benzyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CAS No.:1175712-34-1
Molecular Weight:290.166g/mol
Molecular Formula:C7H13NO2 (isomer)
Names and Identifiers
Synonyms

1-(1-benzyl-2,5-dimethylindol-3-yl)propan-2-amine hydrochloride AKOS032403368 MCULE-8223205219

Inchi
InChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)11-10-14(18)19-12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChkey
PIVUWPMJVNUMBB-UHFFFAOYSA-N
Canonical Smiles
B1(OC(C(O1)(C)C)(C)C)CCC(=O)OCC2=CC=CC=C2
Properties
HS Code
2934999090
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:290.166g/molg/mol
  • Molecular Formula:C7H13NO2
  • Compound Is Canonicalized:True
  • Exact Mass:290.169
  • Monoisotopic Mass:290.169
  • Complexity:345
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:44.8A^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: AAADceJ4OAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABAAAoGgAAAAAADESgmAIyCIAABACI AiDSCAACAAAgAAAIiAEACIgJJiKAMRiCMAAkwAEIqAeAwCAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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