methyl 4-hydroxybenzene-1-carboximidate hydrochloride

• ChemBase编号: 103401
• 分子式: C8H10ClNO2
• 平均质量: 187.6235
• 单一同位素质量: 187.04000625
• SMILES: Cl.COC(=N)c1ccc(O)cc1
• Canonical SMILES: COC(=N)c1ccc(cc1)O.Cl
• InChI: InChI=1S/C8H9NO2.ClH/c1-11-8(9)6-2-4-7(10)5-3-6;/h2-5,9-10H,1H3;1H
• InChIKey: LUGNZZHPWPZWQF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 4-hydroxybenzene-1-carboximidate hydrochloride
• IUPAC传统名: methyl 4-hydroxybenzenecarboximidate hydrochloride
• 别名: 4-羟基苯甲亚胺酸甲酯 盐酸盐; Wood's reagent; Methyl 4-hydroxybenzimidate hydrochloride; METHYL p-HYDROXY-BENZIMIDATE; MHBI; Methyl 4-hydroxybenzimidate hydrochloride

登记号

• CAS号: 57943-60-9
• MDL号: MFCD00043248
• Beilstein号: 5622546
• PubChem SID: 162090902; 24878872
• PubChem CID: 13616646

理论计算性质

• Acid pKa: 9.014371
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 0.57811785
• LogD (pH = 7.4): 1.58548
• Log P: 1.6527523
• 摩尔折射率: 52.8051 cm^3
• 极化性: 16.016508 Å^3
• 极化表面积: 53.31 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: 174-180 °C (dec.)

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: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C; 2-8°C

产品相关信息

• 纯度: ≥98.0% (AT)
• Empirical Formula (Hill Notation): C8H9NO2 · HCl

详细说明

MP Biomedicals - 02151654

Hydrochloride
Crystalline
Easily iodinated imidoester for tagging proteins in presence of sulfhydryl reagents.
Used to label ribosomal proteins lacking tyrosine and histidine residues.

Sigma Aldrich - 54605

Other Notes
Water-soluble reagent for the modification of proteins with specificity for ε-amino groups of lysyl residues.; Proteins which lack tyrosine and histidine residues can thus be labeled with 125 iodine1,2

参考文献

• Wood, F.T., et al., Anal. Biochem., 69: 399 (1975).
• Lambert, M.M., et al., Anal. Biochem., 103: 101 (1980).