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6-acetamidocaproic acid

6-acetamidocaproic acid structural formula

Structural formula

Business number 018A
Molecular formula C8H15NO3
Molecular weight 173.21
label

6-Aminocaproic acid

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): 104105.5


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. Polarizability10-24cm3):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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