2-ethyl-2H-1,2,3,4-tetrazol-5-amine

• ChemBase编号: 143831
• 分子式: C3H7N5
• 平均质量: 113.12118
• 单一同位素质量: 113.07014525
• SMILES: CCn1nc(nn1)N
• Canonical SMILES: CCn1nnc(n1)N
• InChI: InChI=1S/C3H7N5/c1-2-8-6-3(4)5-7-8/h2H2,1H3,(H2,4,6)
• InChIKey: SUEIINDYWPMJEW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethyl-2H-1,2,3,4-tetrazol-5-amine
• IUPAC传统名: 2-ethyl-1,2,3,4-tetrazol-5-amine
• 别名: 2-Ethyl-2H-tetrazol-5-amine; 2-ethyl-2H-tetrazol-5-amine

登记号

• CAS号: 95112-14-4
• MDL号: MFCD05625812
• PubChem SID: 162238048
• PubChem CID: 4274588

理论计算性质

• Acid pKa: 13.249912
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.063032344
• LogD (pH = 7.4): 0.06303185
• Log P: 0.063032426
• 摩尔折射率: 42.6201 cm^3
• 极化性: 10.219451 Å^3
• 极化表面积: 69.62 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C3H7N5

详细说明

Sigma Aldrich - CBR00354

Other Notes
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