Creatinine Creatinine

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:60-27-5

MDL number:MFCD00059730

EINECS number:200-466-7

RTECS number:None

BRN number:112061

PubChem number:24892677

Physical property data

1. Character: Prismatic crystal.

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

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

4. Melting point (ºC): 230-240 (decomposes when heated to about 300°C)

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

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

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

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: soluble in 12 parts of water, slightly soluble in ethanol, almost insoluble in ether, acetone and chloroform.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 28.01

2. Molar volume (cm³/mol): 76.7

3. Isotonic specific volume (90.2K)���213.1

4. Surface tension (dyne/cm): 59.5

5. Polarizability (10^-24cm³)：11.10

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 5

6. Topological molecule polar surface area 58.7

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 151

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. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a dry place.

Synthesis method

1. Heat 900g hydrated creatine, 550ml concentrated hydrochloric acid and 150ml water for 24 hours. Hot filter, cool the filtrate to 0-5°C in an ice bath, and add 1L 28% ammonia water. Stir while cooling to lower the temperature to 0°C, filter out the creatinine crystals, wash them with ammonia water until they contain no chloride ions, then wash them with cold methanol, and dry them to obtain about 550g of creatinine.

2.Heat hydrated creatine, concentrated hydrochloric acid and water, filter it hot and then cool it, add ammonia water, filter out the creatinine crystals, and wash them. That is, pure creatinine is obtained.

Purpose

Biochemical research. Used to identify creatinine in blood.