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