Structural formula
| Business number | 01B7 |
|---|---|
| Molecular formula | C4H7N3O |
| Molecular weight | 113.12 |
| label |
2-Amino-1-methyl-2-imidazolin-4-one, 2-Imino-1-methylimidazolidin-4-one, 2-Imino-N-methylhydantoin, 2-amino-1,5-dihydro-1-methyl-4H-imidazolin-4-one, creatinine, myostatin, 2-amino-1-methylimidazolin-4-one, Creatine-DL-tartaric acid (glutic acid), 1-methylhydantoin-2-imide, Biochemical reagents |
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.
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