2-amino-N,N-dimethylethane-1-sulfonamide hydrochloride

• ChemBase编号: 34427
• 分子式: C4H13ClN2O2S
• 平均质量: 188.67622
• 单一同位素质量: 188.03862635
• SMILES: NCCS(=O)(=O)N(C)C.Cl
• Canonical SMILES: NCCS(=O)(=O)N(C)C.Cl
• InChI: InChI=1S/C4H12N2O2S.ClH/c1-6(2)9(7,8)4-3-5;/h3-5H2,1-2H3;1H
• InChIKey: PIZGQSWCZNVPFH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-N,N-dimethylethane-1-sulfonamide hydrochloride
• IUPAC传统名: 2-amino-N,N-dimethylethanesulfonamide hydrochloride
• 别名: 2-Amino-N,N-dimethylethanesulfonamide hydrochloride; 2-Amino-N,N-dimethylethanesulfonamide hydrochloride; 2-amino-N,N-dimethylethane-1-sulfonamide hydrochloride

登记号

• CAS号: 91893-69-5; 91893-70-8
• MDL号: MFCD04112919
• PubChem SID: 160997734
• PubChem CID: 23448789

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.4215717
• LogD (pH = 7.4): -2.8150282
• Log P: -1.732692
• 摩尔折射率: 35.9339 cm^3
• 极化性: 14.991998 Å^3
• 极化表面积: 63.4 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 144 - 146 °C

安全信息

• 保存条件: Store under N2
• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: >95%
• Empirical Formula (Hill Notation): C4H13ClN2O2S

详细说明

Sigma Aldrich - CBR00871

Other Notes
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Legal Information
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