1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione

• ChemBase编号: 78344
• 分子式: C6H10N2O3
• 平均质量: 158.1552
• 单一同位素质量: 158.06914219
• SMILES: N1(C(=O)NC(=O)C1(C)C)CO
• Canonical SMILES: OCN1C(=O)NC(=O)C1(C)C
• InChI: InChI=1S/C6H10N2O3/c1-6(2)4(10)7-5(11)8(6)3-9/h9H,3H2,1-2H3,(H,7,10,11)
• InChIKey: SIQZJFKTROUNPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
• IUPAC传统名: 1-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
• 别名: 1-羟基甲基-5,5-二甲基乙内酰脲; 5,5-Dimethyl-1-(hydroxymethyl)hydantoin; 1-Hydroxymethyl-5,5-dimethylhydantoin; 1-hydroxymethyl-5,5-dimethylhydantoin; 1-(Hydroxymethyl)-5,5-dimethylhydantoin 97%; mono-METHYLOLDIMETHYLHYDANTOIN

登记号

• CAS号: 27636-82-4; 116-25-6
• EC号: 204-132-1
• MDL号: MFCD00020866
• Beilstein号: 139160
• 默克索引号: 144831
• PubChem SID: 162043113
• PubChem CID: 67000

理论计算性质

• Acid pKa: 9.110344
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.80512065
• LogD (pH = 7.4): -0.8132989
• Log P: -0.8050153
• 摩尔折射率: 36.2518 cm^3
• 极化性: 14.242021 Å^3
• 极化表面积: 69.64 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 104-106°C; 104-106°C

安全信息

• 保存注意事项: Harmful/Irritant/Moisture Sensitive/Store under Argon; Moisture Sensitive
• RTECS编号: NI9454200
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 97%

详细说明

MP Biomedicals - 05214437

MP Biomedicals Rare Chemical collection

参考文献

• Source of formaldehyde which is liberated very slowly in the presence of water at pH 6.