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

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Purpose

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