2-(dimethylamino)acetic acid hydrochloride

• ChemBase编号: 102417
• 分子式: C4H10ClNO2
• 平均质量: 139.5807
• 单一同位素质量: 139.04000625
• SMILES: Cl.CN(C)CC(=O)O
• Canonical SMILES: CN(CC(=O)O)C.Cl
• InChI: InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
• InChIKey: FKASAVXZZLJTNX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethylamino)acetic acid hydrochloride
• IUPAC传统名: dimethylglycine hydrochloride
• 别名: N,N-二甲基甘氨酸盐酸盐; N,N-DIMETHYLAMINOACETIC ACID HCl; 2-(dimethylamino)acetic acid hydrochloride; N,N-Dimethylaminoacetic acid hydrochloride; N,N-Dimethylglycine hydrochloride; N-Methylsarcosine hydrochloride; (Dimethylamino)acetic acid hydrochloride; N,N-DIMETHYLGLYCINE HYDROCHLORIDE

登记号

• CAS号: 2491-06-7
• EC号: 219-648-2
• MDL号: MFCD00012610
• Beilstein号: 3910578
• 默克索引号: 143244
• PubChem SID: 24894022; 162088485; 24865219
• PubChem CID: 75605

理论计算性质

• Acid pKa: 1.8808128
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.060791
• LogD (pH = 7.4): -3.0625443
• Log P: -3.0607824
• 摩尔折射率: 26.0727 cm^3
• 极化性: 10.177998 Å^3
• 极化表面积: 40.54 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: 189-194 °C(lit.); 189-194°C; 189-194°C; 190-193 °C (dec.)

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Hygroscopic
• RTECS编号: MB9995000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 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
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99.0% (AT); 98%; 99%
• 级别: puriss.
• 成盐信息: HCl
• 线性分子式: (CH3)2NCH2COOH · HCl

详细说明

MP Biomedicals - 05202366

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02101597

Hydrochloride
Crystalline

Sigma Aldrich - D6382

Biochem/physiol Actions
N,N-Dimethylglycine (DMG) is a natural N-methylated glycine that is used in comparative analysis with other N-methylated glycines such as sarcosine and βine. N,N-Dimethylglycine is used in the development of glycine-based ionic liquids and emulsifiers. N,N-Dimethylglycine is potentially useful as a biomarker of protein degradation in COPD patients. DMG is used as a substrate to identify, differentiate and characterize amino acid methyltransferase(s).