isobutyl 4-aminobenzoic acid
structural formula
| business number | 027a |
|---|---|
| molecular formula | c11h15no2 |
| molecular weight | 193.24 |
| label |
4-aminobenzoic acid isobutyl ester, isobucaine, (2-methylpropyl) p-aminobenzoate |
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
