2-methyl-2-(methylamino)propanoic acid

• ChemBase编号: 104322
• 分子式: C5H11NO2
• 平均质量: 117.14634
• 单一同位素质量: 117.0789786
• SMILES: CNC(C)(C)C(=O)O
• Canonical SMILES: CNC(C(=O)O)(C)C
• InChI: InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)
• InChIKey: DLAMVQGYEVKIRE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-2-(methylamino)propanoic acid
• IUPAC传统名: 2-(methylamino)isobutyric acid
• 别名: 2,N-Dimethylalanine; 2-(Methylamino)-2-methylpropionic acid; α-(Methylamino)isobutyric acid; α-(METHYLAMINO)ISOBUTYRIC ACID

登记号

• CAS号: 2566-34-9
• EC号: 219-898-2
• MDL号: MFCD00004191
• Beilstein号: 1746984
• PubChem SID: 24896726; 162092760
• PubChem CID: 75725

理论计算性质

• Acid pKa: 2.2310338
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -2.1848838
• LogD (pH = 7.4): -2.1849868
• Log P: -2.1847591
• 摩尔折射率: 29.9852 cm^3
• 极化性: 12.004493 Å^3
• 极化表面积: 49.33 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: >300 °C(lit.)

安全信息

• 保存条件: 0°C
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95%; ≥97.0% (NT); ≥98% (titration)
• 级别: purum
• 线性分子式: CH3NHC(CH3)2COOH

详细说明

MP Biomedicals - 02155464

Purity: ≥95% May form slightly hazy solution in water.

Sigma Aldrich - M2383

包装
1 g in poly bottle
250 mg in poly bottle
Biochem/physiol Actions
α-(Methylamino)isobutyric acid is a competitive inhibitor of the neutral amino acid transport A system.

Sigma Aldrich - 03566

Other Notes
Sterically strongly hindered N-methyl amino acid. N-Boc-ylation1