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Structural formula

Business number	018A
Molecular formula	C8H15NO3
Molecular weight	173.21
label	6-Aminocaproic acid

• 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:57-08-9

MDL number:MFCD00004424

EINECS number:200-310-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: white crystal .

2. Density (g/mL,25/4?) ? Undetermined

3. Relative vapor density (g/mL,Air=1): Undetermined

4. Melting point (ºC): 104?105.5

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: not OK

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation ( º): Undetermined

10. Spontaneous ignition point or ignition Combustion temperature (ºC): not OK

11. Vapor Pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure ( kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical Pressure (KPa): Undetermined

16. Oil and water (octanol /Water) partition coefficient pair Value: Undetermined

17. Explosion upper limit (%,V/V): not OK

18. Lower explosion limit (%,V/V): not OK

19. Solubility: Not available Sure.

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 44.30

2. Molar volume (m³/mol??161.1

3. isotonic specific volume (90.2K):405.2

4. Surface tension (dyne/cm??39.9

5. Polarizability?10^-24cm³):17.56

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: 2

6. Topological molecular polar surface area (TPSA):66.4

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 156

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

Pharmaceutical intermediates.

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