1-ethyl-5-methyl-1H-pyrazol-3-amine

• ChemBase编号: 122128
• 分子式: C6H11N3
• 平均质量: 125.17164
• 单一同位素质量: 125.09529737
• SMILES: n1n(c(cc1N)C)CC
• Canonical SMILES: Cc1cc(nn1CC)N
• InChI: InChI=1S/C6H11N3/c1-3-9-5(2)4-6(7)8-9/h4H,3H2,1-2H3,(H2,7,8)
• InChIKey: MAGGRXZKFUAOGD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethyl-5-methyl-1H-pyrazol-3-amine
• IUPAC传统名: 1-ethyl-5-methylpyrazol-3-amine
• 别名: 1-ethyl-5-methyl-1H-pyrazol-3-amine; 1-Ethyl-5-methyl-1H-pyrazol-3-amine

登记号

• CAS号: 956364-46-8
• MDL号: MFCD04970043
• PubChem SID: 162216481
• PubChem CID: 6485384

理论计算性质

• 摩尔折射率: 49.8736 cm^3
• 极化性: 13.6302595 Å^3
• 极化表面积: 43.84 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.7043105
• LogD (pH = 7.4): 0.7227663
• Log P: 0.7230067

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C6H11N3

详细说明

Sigma Aldrich - CBR00033

Other Notes
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