2-phenylbutyryl urea

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:90-49-3

mdl number:mfcd00069050

einecs number:201-998-2

rtecs number:none

brn number:none

pubchem id:none

physical property data

none

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index 56.89

2. molar volume (cm³/mol): 179.2

3. isotonic specific volume (90.2k) : 469.0

4. surface tension (dyne/cm): 46.8

5. polarizability (10-24cm3): 22.55

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.8

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 3

5. number of tautomers: 5

6. topological molecule polar surface area 72.2

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 235

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

none