3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propanoic acid;bromide


Catalog No:   FT-0734364

CAS No:   32353-63-2

  • Chemical Name:  3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propanoic acid;bromide
  • Molecular Formula:  C12H14BrNO3
  • Molecular Weight:  300.15
  • InChI Key:  MCXMTZZEGBGKGZ-UHFFFAOYSA-N
  • InChI:  InChI=1S/C12H13NO3.BrH/c1-8-3-4-11-10(7-8)13(9(2)16-11)6-5-12(14)15;/h3-4,7H,5-6H2,1-2H3;1H

Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: 191-194ºC
FW: 300.14800
CAS: 32353-63-2
MF: C12H14BrNO3
Flash_Point: N/A
Product_Name: 3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propanoic acid,bromide
Bolling_Point: N/A
Density: N/A
FW: 300.14800
Melting_Point: 191-194ºC
MF: C12H14BrNO3
Exact_Mass: 299.01600
Molecular_Structure: ['1. Molar refractive index 无可用 ', '2 . Molar volume 无可用 ', '3 . Parachor (902K)无可用 ', '4 . Surface tension 无可用 ', '5 . Polarizability 无可用']
PSA: 54.32000
More_Info: ['1 . Appearance 无可用 ', '2 . Density(g/mL,25/4℃)无可用 ', '3 . Relative vapor density(g/mL,Atmosphere =1)无可用 ', '4 . Melting point(ºC)191-194 ', '5 . Boiling point(ºC,Atmospheric pressure)无可用 ', '6 . Boiling point(ºC,52kPa)无可用 ', '7 . Refractive index无可用 ', '8 . Flash point(ºC)无可用 ', '9 . Specific rotation(º)无可用 ', '10 . Spontaneous ignition point or ignition temperature(ºC)无可用 ', '11 . Vapor pressure(kPa,25ºC)无可用 ', '12 . Saturated vapor pressure(kPa,60ºC)无可用 ', '13 . Combustion heat(KJ/mol)无可用 ', '14 . Critical temperature(ºC)无可用 ', '15 . Critical pressure(KPa)无可用 ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion(%,V/V)无可用 ', '18 . Lower limit of explosion(%,V/V)无可用 ', '19 . Solubility 无可用']
Computational_Chemistry: ['1 . XlogP 21 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 543 ', '6 . Heavy Atom Count 16 ', '7 . Topological Polar Surface Area 1 ', '8 . Complexity 269 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Safety_Statements: S24/25
HS_Code: 2934999090

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