4,5-diethoxybenzene-1,2-diamine hydrochloride

• ChemBase编号: 166805
• 分子式: C10H17ClN2O2
• 平均质量: 232.70718
• 单一同位素质量: 232.09785547
• SMILES: c1(c(cc(c(c1)OCC)OCC)N)N.Cl
• Canonical SMILES: CCOc1cc(N)c(cc1OCC)N.Cl
• InChI: InChI=1S/C10H16N2O2.ClH/c1-3-13-9-5-7(11)8(12)6-10(9)14-4-2;/h5-6H,3-4,11-12H2,1-2H3;1H
• InChIKey: NYPGQQZCKYFWSO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,5-diethoxybenzene-1,2-diamine hydrochloride
• IUPAC传统名: 4,5-diethoxybenzene-1,2-diamine hydrochloride
• 别名: 4,5-Diethoxy-1,2-benzenediamine; 1,2-Diamino-4,5-ethoxybenzene, Hydrochloride

登记号

• PubChem SID: 162260938
• PubChem CID: 71315887

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 0.6518136
• LogD (pH = 7.4): 0.71283054
• Log P: 0.7136673
• 摩尔折射率: 57.8824 cm^3
• 极化性: 21.329405 Å^3
• 极化表面积: 70.5 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water,

详细说明

Toronto Research Chemicals - D416265

Reacts with aldehydes to produce highly fluorescent benzimidazole derivatives. Can be used for the detection of aromatic aldehydes as well as DTAN.