基本情報
- CAS
6020-87-7- 標準SMILES
CN(CC(=O)O)C(=N)N.O- InChIKey
MEJYXFHCRXAUIL-UHFFFAOYSA-N- 分子式
- C4H11N3O3
- 平均分子量
- 149.15 g/mol
- 単同位体質量
- 149.08004122
名称と識別子
- 優先名称
- Creatine Monohydrate
- IUPAC
- 2-[carbamimidoyl(methyl)amino]acetic acid;hydrate
- 現地名
- クレアチン水和物
- 英語名
- Creatine monohydrate
- 分子式
- C4H11N3O3
- 分子量
- 149.15
名称と別名
名称をさらに表示
データベース識別子
- CAS
6020-87-7- PubChem CID
- 80116
- DTXSID
DTXSID10208954- ChEMBL
CHEMBL5275950- UNII
- 9603LN7R2Q
- EC Number
- 611-954-8
物性
構造計算による物性
- 極性表面積
- 91.4 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 134
物理化学的性質
- 融点
- 292 °C · 292 °C (dec.)(lit.)
- 比重(密度)
- 0.55 · 0.55-0.64 g/cm3
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 水に溶けにくく、エタノール、エーテルに溶けにくい。
- 外見
- 結晶性粉末
- 色
- 白から黄色
- 臭い (Odor)
- Odorless
- PH
- 6.9 · 6.9 (10g/l, H2O, 20℃)
- 水溶解度
- 13 g/L · 13g/L(20℃)
- Merck
- 14 · 14,2568
- BRN
- 907175 · 907175
- 安定性
- Hygroscopic
- 化粧品成分の機能
- スキンコンディショニング
- InChI
- InChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2
- InChIKey
- MEJYXFHCRXAUIL-UHFFFAOYSA-N
- SMILES
- N(C)(C(N)=N)CC(=O)O.O
- LogP
- -1.877 · -1.877 (est)
- CAS データベース
- 6020 · 6020-87-7(CAS DataBase Reference)
- NISTの化学物質情報
- Creatine hydrate(6020-87-7)
- CAS Number Unlabeled
- 6020 · 6020-87-7
化学的性質
化学的特性Creatine monohydrate is a colorless, crystalline substance used in muscle tissue for the production of phosphocreatine, an important factor in the formation of adenosine triphosphate (ATP), the source of energy for muscle contraction and many other functions in the body.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 69.4% (102 of 147) of all reports.
Warning
H315 (30.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (30.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (29.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 147 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 102 of 147 reports by companies.;There are 6 notifications provided by 45 of 147 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Glycine, N-(aminoiminomethyl)-N-methyl-, monohydrate
Regulation (EC) No 178/2002 (amended)
Creatine: Does not have an individual approval but may be used under an appropriate group standard
法規制情報
Regulatory Information
Chemical: Glycine, N-(aminoiminomethyl)-N-methyl-, monohydrate
Regulation (EC) No 178/2002 (amended)
Creatine: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 1
- tsca
- Yes
- hs_code
- 29252000
- risk_code
- 36/37/38-20/21/22
- 化審法
- (2)-3146
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- 自然発火温度
- >800°C
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
説明Creatine Monohydrate is the monohydrate form of creatine similar or identical to endogenous creatine produced in the liver, kidneys, and pancreas. Pure creatine is a white, tasteless,odorless powder, that is a naturally occurring metabolite found in muscle tissue.Creatine monohydrate is an amino acid produced in the human body that plays a role in replenishing the energy supply to muscle cells.Creatine is usually produced to a purity of 99.5 percent or higher.Until recently, the primary use for creatine was as a laboratory reagent, demand for which was relatively limited.In the early 1990's, however, weight trainersand other athletes began using creatine in the belief that it stimulates muscle growth and reduces muscle fatigue.
使用Creatine is a natural compound made from the amino acids l-arginine, glycine, and methionine.Creatine monohydrate is a creatine with one molecule of water connected to it. Our bodies can produce creatine, however they also can take in and store creatine found in diverse meals like meat, eggs, and fish.Creatine monohydrate supplementation is promoted as an ergogenic aid, which refers to a product purported to enhance energy production,utilization, control, and efficiency (Mujika and Padilla,1997).Creatine is purported to increase power, strength, and muscle mass and to decrease performance time (Demant et al.,1999).Involved with rapid ATP production primarily in skeletal muscle tissue via the action of creatine kinase(s).
調製方法
純化方法Likely impurities are creatinine and other guanidino compounds. It crystallises from the minimum volume of boiling H2O as the monohydrate. The hydrate is also obtained by dissolving in H2O and adding Me2CO. Drying under vacuum over P2O5 or drying at 100o gives the anhydrous base. The anhydrous base can be obtained also by dissolving the hydrate in H2O, seeding with the anhydrous base and cooling in ice. A m of 258 -268o(dec) was reported. The picrate crystallises from 17 parts of H2O with m of 218-220o(dec). [King J Chem Soc 2377 1930, Hoffmann et al. J Am Chem Soc 58 1730 1936, Mendel & Hodgkin Acta Cryst 7 443 1954, Greenstein & Winitz The Chemistry of the Amino Acids J. Wiley, Vol 3 p 2750 1961, Beilstein 4 III 1170, 4 IV 2425.]
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
補足説明
定義本品は、次の化学式で表されるアミノ酸である。
関連反応
化合物ノート
読み込み中…