isobutyl 4-aminobenzoic acid

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:94-14-4

mdl number:mfcd00017110

einecs number:202-308-2

rtecs number:dg2955000

brn number:none

pubchem number:24856043

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 56.11

2. molar volume (cm³/mol): 179.5

3. isotonic specific volume (90.2k ): 454.6

4. surface tension (dyne/cm): 41.1

5. polarizability (10-24cm3): 22.24

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

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: 3

6. topological molecule polar surface area 52.3

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 184

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

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 yet

storage method

none yet

synthesis method

none yet

purpose

none yet