1H-1,3-benzodiazole-5,6-diamine

• ChemBase编号: 166793
• 分子式: C7H8N4
• 平均质量: 148.16522
• 单一同位素质量: 148.07489628
• SMILES: c1(c(cc2c(c1)nc[nH]2)N)N
• Canonical SMILES: Nc1cc2[nH]cnc2cc1N
• InChI: InChI=1S/C7H8N4/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-3H,8-9H2,(H,10,11)
• InChIKey: SJVPHAOWYMKBPE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1H-1,3-benzodiazole-5,6-diamine
• IUPAC传统名: 1H-1,3-benzodiazole-5,6-diamine
• 别名: 1H-Benzimidazole-5,6-diamine Trihydrochloride; 5,6-Diaminobenzimidazole TrihydrochlorideDISCONTINUED See D416201; 1H-Benzimidazole-5,6-diamine Dihydrochloride; 5,6-Diaminobenzimidazole Dihydrochloride

登记号

• CAS号: 90000-54-7; 355115-85-4
• PubChem SID: 162260926
• PubChem CID: 2773193

理论计算性质

• Acid pKa: 13.853272
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -1.335047
• LogD (pH = 7.4): -0.94459224
• Log P: -0.3983479
• 摩尔折射率: 44.3693 cm^3
• 极化性: 16.917057 Å^3
• 极化表面积: 80.72 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Water
• 外观: Off-White Solid
• 熔点: >300°C

详细说明

Toronto Research Chemicals - D416201

A fluorometric labeling reagent.

Toronto Research Chemicals - D416200

Reacts with aldehydes to produce highly fluorescent imidazole derivatives. A fluorometric labeling reagent.