Product Name

  • Name

    1-hydroxy-1-[(3S)-6-phenylmethoxy-2,3-dihydrobenzofuran-3-yl]urea

  • EINECS
  • CAS No. 139149-55-6
  • Density 1.4g/cm3
  • Solubility
  • Melting Point
  • Formula C16H16 N2 O4
  • Boiling Point 509.4°C at 760 mmHg
  • Molecular Weight 300.34
  • Flash Point 261.9°C
  • Transport Information
  • Appearance
  • Safety Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 139149-55-6 (1-hydroxy-1-[(3S)-6-phenylmethoxy-2,3-dihydrobenzofuran-3-yl]urea)
  • Hazard Symbols
  • Synonyms Urea,N-[2,3-dihydro-6-(phenylmethoxy)-3-benzofuranyl]-N-hydroxy-, (S)-; SB 202235
  • PSA 85.02000
  • LogP 3.16930

N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea Chemical Properties

Molecule structure of N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea (CAS NO.139149-55-6):

IUPAC Name: 1-Hydroxy-1-[(3S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-3-yl]urea 
Molecular Weight: 300.30924 g/mol
Molecular Formula: C16H16N2O4 
Density: 1.4 g/cm3 
Boiling Point: 509.4 °C at 760 mmHg 
Flash Point: 261.9 °C
Index of Refraction: 1.677
Molar Refractivity: 80.54 cm3
Molar Volume: 213.7 cm3
Polarizability: 31.93×10-24 cm3
Surface Tension: 71.4 dyne/cm 
Enthalpy of Vaporization: 82.12 kJ/mol
Vapour Pressure: 3.35E-11 mmHg at 25 °C
XLogP3-AA: 1.4
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 300.111007
MonoIsotopic Mass: 300.111007
Topological Polar Surface Area: 85
Heavy Atom Count: 22
Complexity: 386
Defined Atom StereoCenter Count: 1
Canonical SMILES: C1C(C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3)N(C(=O)N)O
Isomeric SMILES: C1[C@H](C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3)N(C(=O)N)O
InChI: InChI=1S/C16H16N2O4/c17-16(19)18(20)14-10-22-15-8-12(6-7-13(14)15)21-9-11-4-2-1-3-5-11/h1-8,14,20H,9-10H2,(H2,17,19)/t14-/m1/s1
InChIKey of N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea (CAS NO.139149-55-6): FYAQEFBDKOWIIL-CQSZACIVSA-N

N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea Safety Profile

Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx.

N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea Specification

 N-((3S)-2,3-Dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxyurea (CAS NO.139149-55-6) is also named as Urea, N-((3S)-2,3-dihydro-6-(phenylmethoxy)-3-benzofuranyl)-N-hydroxy- .

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