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

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Toxicological data

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Ecological data

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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

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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

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Storage method

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Synthesis method

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Purpose

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