크레아틴인
크레아티닌 · 2-아미노-1,5-다이하이드로-1-메틸-4H-이미다졸-4-온 · 크레아틴인 · 2-아미노-1,5-디하이드로-1-메틸-4H-이미다졸-4-온 · 2-아미노-1-메 · 1-메틸하이단토인-2-이미드 · DADA · Diisopropylamine dichloroacetate
식별자 및 물리적 특성
| CAS No. | 60-27-5 |
|---|---|
| 분자식 | C4H7N3O |
| 평균 분자량 | 113.12 g/mol |
| SMILES | CN1CC(=O)N=C1N |
| InChIKey | DDRJAANPRJIHGJ-UHFFFAOYSA-N |
| PubChem CID | 588 |
| ChEMBL | CHEMBL65567 |
| ChEBI | CHEBI:16737 |
| EC No. | 200-466-7 |
| 현지명 | 크레아틴인 |
화학 및 물리적 성질
| XLogP | -1.8 |
|---|---|
| 극성 표면적 | 58.7 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 151 |
| 물질 분류 | Biological Agents -> Other Biomolecules |
| 화장품 | Skin conditioning |
| LogP(분배 계수) | -1.76 |
| 용해도 | 80.1 mg/mL at 16 °C1M HCl: 20°C에서 0.1 g/mL, 투명 |
| 녹는점 | 303 °C (decomposes)295 °C (dec.) (lit.) |
| 증기압 | 0.000217 [mmHg] |
| Physical Description | Solid[Merck Index] White crystalline powder[Alfa Aesar MSDS] |
| Collision Cross Section | 123.4 Ų [M+H]+ |
| 끓는 점 | 211.83°C (rough estimate) |
| 밀도 | 1.2526 (rough estimate) |
| 굴절률 | 1.5700 (estimate) |
| 인화점 | 290 °C |
| 저장 조건 | Sealed in dry,Room Temperature |
| pKa(산도 계수) | 4.83(at 25℃) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 하얀색 |
| pH | 7.0-9.0 (20°C, 50g/L in H2O) |
| 용해도 | 녹는 |
| Merck | 14,2569 |
| BRN | 112061 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| 화장품 원료 기능 | 피부 컨디셔닝 |
| InChI | 1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) |
| InChIKey | DDRJAANPRJIHGJ-UHFFFAOYSA-N |
| SMILES | CN1CC(=O)N=C1N |
| LogP(분배 계수) | -1.760 |
| NIST | Creatinine(60-27-5) |
| EPA | 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl- (60-27-5) |
화학적 성질
white powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 60% (6 of 10) of all reports.WarningH315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-Status: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16337Creatinine: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 유해성 요약 | A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (40%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 1789 8/PG 3 |
| 독성 | A degradation product of creatine. Serum creatinine is elevated after eating meat. High serum creatinine may also be indicative of renal failure. |
| 관세 코드 | 29332990 |
| 위험 문구(R) | 34-36/37/38-20/21/22 |
| 위험 표시 | Xi,Xn |
| 안전 문구(S) | 26-36/37/39-45-24/25-36 |
| 기존화학 물질 | KE-01302 |
| F 고인화성물질 | 9-23 |
| 저장 분류 | 13 - Non Combustible Solids |
용도
개요
Creatinine is together with urea, the most widely known "uremic toxin", and is usually assessed when- ever a reduction in kidney function is suspected. This is mainly because creatinine evaluation is cheap, widely accessible and relatively well reflects the renal function. It also forms the basis for estimation of estimated glomerular filtration rate (eGFR) and thus is a major component of all principal eGFR equations.Creatinine, which is nonenzymatically produced from the creatine pool in skeletal muscle, but is also to some extent generated from exogenous creatine present in meat, is the major guanidine compound retained in patients with diminished glomerular filtration rate. Creatinine is routinely determined in plasma or serum as a measure of impairment of renal function and it might be expected that a variety of uremic symptoms correlate with the plasma creatinine level; this does not, however, necessarily imply a causal relationship. In fact, high serum creatinine levels correlate with low mortality in HD patients, presumably because the creatinine generation rate reflects the size of the muscle mass. Creatinine seems to be relatively nontoxic. Large amounts of creatinine have been fed to healthy subjects without any adverse effects and animals also tolerate large doses.
용도
Creatinine is the end product of creatine catabolism. Creatinine is a normal constituent of urine. Also found together with creatine in muscle tissues and blood. Creatinine is found in all soils and i n grain seeds and other vegetable matter as well as in certain fish and in crab meat extract.
일반 설명
Creatinine is a breakdown product formed by the degradation of creatine phosphate from muscles. The kidneys extract creatinine from the body by filtering almost all of it from the blood and excreting it in the urine. Serum creatinine is the most commonly used indicator for renal functioning. In chemical synthesis, creatinine is used as a heterocyclic nitrogenous compound that produces electron-rich and highly basic creatinine derivatives.