6-acetamidocaproic acid

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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