n-propyl para-aminobenzoate

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:94-12-2

mdl number:mfcd00017111

einecs number:202-306-1

rtecs number:dg3090000

brn number:1211203

pubchem id:none

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 51.52

2. molar volume (cm³/mol): 162.6

3. isotonic specific volume (90.2k ): 417.5

4. surface tension (dyne/cm): 43.4

5. polarizability (10-24cm3): 20.42

compute chemical data

1. hydrophobic parameter calculation reference value (xlogp): 2.4

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 4

5. number of tautomers: 2

6. topological molecular polar surface area (tpsa): 52.3

p>

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 162

10. number of isotope atoms : 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the chemical bond configuration number of centers: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet