2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE
Creatinine
CAS: 60-27-5
Molecular Formula: C4H7N3O
2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE - Names and Identifiers
| Name | Creatinine |
| Synonyms | CREATININ KREATININ Creatinine CREATININE 2-IMINO-N-METHYLHYDANTOIN METHYLGUANIDINEACETIC ACID Diisopropylamine dichloroacetate 2-Amino-1-methylimidazolidin-4-one 2-Imino-1-methylimidazolidin-4-one 2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE 2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-one 2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one 2-amino-3-methyl-5-oxo-4,5-dihydro-1H-imidazol-3-ium |
| CAS | 60-27-5 |
| EINECS | 200-466-7 |
| InChI | InChI=1/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)/p+1 |
| InChIKey | DDRJAANPRJIHGJ-UHFFFAOYSA-N |
2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE - Physico-chemical Properties
| Molecular Formula | C4H7N3O |
| Molar Mass | 113.12 |
| Density | 1.2526 (rough estimate) |
| Melting Point | 295 °C (dec.) (lit.) |
| Boling Point | 211.83°C (rough estimate) |
| Flash Point | 290 °C |
| Water Solubility | SOLUBLE |
| Solubility | Soluble in 12 parts of water, slightly soluble in ethanol, almost insoluble in ether, acetone and chloroform. |
| Appearance | Crystallization |
| Color | White |
| Merck | 14,2569 |
| BRN | 112061 |
| pKa | 4.83(at 25℃) |
| Storage Condition | Sealed in dry,Room Temperature |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Refractive Index | 1.5700 (estimate) |
| MDL | MFCD00059730 |
| Physical and Chemical Properties | Appearance white crystalline or crystalline powder |
| Use | Blood identification and analysis reagents, health products |
2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE - Risk and Safety
| Risk Codes | R34 - Causes burns R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. |
| UN IDs | UN 1789 8/PG 3 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 9-23 |
| TSCA | Yes |
| HS Code | 29332990 |
| Toxicity | A degradation product of creatine. Serum creatinine is elevated after eating meat. High serum creatinine may also be indicative of renal failure. |
2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE - Reference
| Reference Show more | 1. Min. Huanzhen, Song Huanlu, Chen, Chencun, et al. Isolation and identification of strains from natto products and comparison of Nattokinase activity [J]. Science and Technology of food industry, 2017, 038(001):141-146. 2. Liu He, Li Yuqian, Li Xingying, Wang Rui, Yang May, Xu Xiaoping. Study on a new method for detection of creatine kinase [J]. West China Pharmaceutical Journal, 2020,35(06):626-629. 3. [IF = 4.36] Bao Yang et al."UPLC/Q-TOF-MS/MS-based metabonomics revealed the lipid-lowering effect of Ilicis Rotundae Cortex high on-fat diet induced hyperlipidemia rats."J Ethnopharmacol. 2020 Jun;256:112784 4. [IF=5.548] Lang Zhang et al."Changes in flavor, heterocyclic aromatic amines, and quality characteristics of roasted chicken drumsticks at different processing stages."FOOD CONTROL. 2022 Sep;139:109104 |
2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE - Nature
Open Data Verified Data
prismatic crystals. Soluble in water. Melting point 230~240 °c (decomposition).
Last Update：2024-01-02 23:10:35
2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE - Preparation Method
Open Data Verified Data
The creatine hydrate, concentrated hydrochloric acid and water were heated, heated, filtered and cooled, ammonia water was added, creatinine crystals were filtered out, and washed to obtain pure creatinine.
Last Update：2022-01-01 09:27:27
2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE - Introduction
Heat to about 300 ℃ decomposition. Solubility in water: 90g/l (20°C), slightly soluble in ethanol, almost insoluble in ether, acetone and chloroform. This product is slowly evaporated from a saturated solution and contains two molecules of crystal water. Crystallized in a hot saturated solution, containing one molecule of crystal water. The maximum absorption wavelength is 234nm(ε6900,pH6 -5-12-3), 217nm(ε4500,pH<3),225nm(ε11100,1mol/L potassium hydroxide).
Last Update：2022-10-16 17:26:55
2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE - Use
Open Data Verified Data
biochemical study. Used to identify creatinine in the blood.
Last Update：2022-01-01 09:27:27
2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE - Reference Information
| pH range of acid-base indicator discoloration | 7.5 - 8.5 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | analysis reagent (blood identification), biochemical research reagent. for the treatment of acute and chronic hepatitis, cirrhosis, jaundice and general liver disorders. health care products; Biochemical reagents; Analytical reagents (blood identification), renal function test. reagents for blood identification and analysis, health products is an intermediate of auxiliary drugs for liver disease |
| production method | from dichloroacetic acid methyl ester or dichloroacetic acid and diisopropylamine salt. Dichloroacetic acid methyl ester was added to water, and diisopropylamine was slowly added under stirring and cooling, and the temperature was controlled below 60 °c. White precipitate, test pH should be more than 7, otherwise plus a suitable amount of diisopropylamine. The crystals were cooled with stirring for 24 hours to complete, filtered, and the crystals were washed with cold ethanol and dried at 70 °c to give diisopropylamine dichloroacetate. The mother liquor is concentrated, and the crude product can be recovered and recrystallized with ethanol to obtain the finished product. 900g of creatine hydrate, 550ml of concentrated hydrochloric acid and 150ml of water were heated for 24h. Hot filtration, the filtrate was cooled to 0-5 °c in an ice bath and 1L of 28% aqueous ammonia was added. After stirring under cooling, the temperature was lowered to 0 ° C., The creatinine crystals were filtered off, washed with ammonia water to no chloride ions, washed with cold methanol and dried to obtain about 550g of creatinine. |
Last Update：2024-04-10 22:29:15
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