2-amino-1-methyl-4,5-dihydro-1H-imidazol-4-one

• ChemBase编号: 102380
• 分子式: C4H7N3O
• 平均质量: 113.11788
• 单一同位素质量: 113.05891186
• SMILES: CN1CC(=O)N=C1N
• Canonical SMILES: O=C1N=C(N(C1)C)N
• InChI: InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
• InChIKey: DDRJAANPRJIHGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-1-methyl-4,5-dihydro-1H-imidazol-4-one
• IUPAC传统名: creatinine
• 别名: 2-亚氨基-1-甲基咪唑啉-4-酮; 2-亚氨基-N-甲基乙内酰脲; 2-氨基-1-甲基-2-咪唑啉-4-酮; 肌酸酐; 肌酸酐标准品 溶液; CREATININE; 2-Amino-1-Methyl-4-Imidazolidinone;2-Imino-1-methylimidazolidin-4-one; 2-Imino-N-methylhydantoin; CREATININE ANHYDROUS; 2-Amino-1-methyl-2-imidazolin-4-one; 2-Imino-1-methylimidazolidin-4-one; Creatinine; Creatinine standard solution

登记号

• CAS号: 60-27-5
• EC号: 200-466-7
• MDL号: MFCD00059730
• Beilstein号: 112061
• PubChem SID: 24892618; 162088649; 24892677; 24892628
• PubChem CID: 588

理论计算性质

• Acid pKa: 5.9661527
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.5927732
• LogD (pH = 7.4): -2.8975937
• Log P: -1.4594195
• 摩尔折射率: 28.32 cm^3
• 极化性: 10.516907 Å^3
• 极化表面积: 58.69 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 1 M HCl: soluble0.1 g/mL at 20 °C, clear
• 熔点: 255°C; 295 °C (dec.)(lit.)
• 闪点: 290 °C; 554 °F

安全信息

• 保存条件: Room Temperature (15-30°C)
• 联合国危险货物编号: 1789
• 德国WGK号: -; 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 1789 8/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98%; ≥99.0% (NT)
• 浓度: 0.03 mg/mL
• 级别: anhydrous
• 痕量阳离子: Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Empirical Formula (Hill Notation): C4H7N3O

详细说明

MP Biomedicals - 05202914

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101423

Crystalline

Sigma Aldrich - C3488

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Other Notes
溶液包含溶于 0.02N HCl 的肌酸酐。

Sigma Aldrich - C3613

Components
组包含 0.01mg/ml、0.03mg/ml 和 0.1mg/ml 肌酸酐标准溶液各 100mL。
Other Notes
溶液包含溶于 0.02N HCl 的肌酸酐。

Sigma Aldrich - 27910

Other Notes
用于蛋白质 NMR 滴定的内标1

Sigma Aldrich - C4255

包装
1 kg in poly bottle
10 mg in autosmp vl
10, 25, 100 g in poly bottle