(2H3)acetic acid amine

• ChemBase编号: 134995
• 分子式: C2H7NO2
• 平均质量: 77.08248
• 单一同位素质量: 77.04767847
• SMILES: CC(=O)O.N
• Canonical SMILES: CC(=O)O.N
• InChI: InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3
• InChIKey: USFZMSVCRYTOJT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (^2H₃)acetic acid amine
• IUPAC传统名: (^2H₃)acetic acid amine
• 别名: 乙酸铵-d3; Ammonium acetate-d3

登记号

• PubChem SID: 162229270
• PubChem CID: 71309024

理论计算性质

• Acid pKa: 4.54344
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• 摩尔折射率: 12.6437 cm^3
• 极化性: 5.030792 Å^3
• 极化表面积: 37.3 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

• 熔点: 110-112 °C (dec.)(lit.)
• 质量偏移: M+3

产品相关信息

• 同位素纯度: 98 atom % D
• Mol. Weight: mol wt 80.04 by atom % calculation
• 线性分子式: CD3CO2NH4

详细说明

Sigma Aldrich - 613983

包装
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