structural formula

business number	0258
molecular formula	c13h13no3
molecular weight	231.25
label	2-hydroxy-3-[(2-hydroxyethyl)carbamoyl]naphthalene spheres, 2-hydroxy-3-[(2-hydroxyethyl)carbamoyl]naphthalene

• 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:92-80-8

mdl number:none

einecs number:202-191-8

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. properties: light yellow to light yellow brown crystals or crystalline powder

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 146

5. boiling point (ºc, normal pressure): undetermined

p>

6. boiling point (ºc, 5.2kpa): not determined

7. refractive index: not determined

8. flash point (ºc): not determined

p>

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

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. log value of oil-water (octanol/water) partition coefficient : undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: slightly soluble in water, soluble in ethanol, acetone

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 65.76

2. molar volume (cm³/mol): 176.3

3. isotonic specific volume (90.2k ): 495.7

4. surface tension (dyne/cm): 62.4

5. polarizability (10-24cm3): 26.07

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2

2. number of hydrogen bond donors: 3

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 3

5. number of tautomers: 9

6. topological molecule polar surface area 69.6

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 269

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. uncertain chemistry�number of stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

this product should be sealed and stored in a cool, dry place.

synthesis method

none

purpose

organic synthesis.

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