(4-methanesulfonylmorpholin-2-yl)methanamine hydrochloride

• ChemBase编号: 34603
• 分子式: C6H15ClN2O3S
• 平均质量: 230.7129
• 单一同位素质量: 230.04919103
• SMILES: C1COC(CN1S(=O)(=O)C)CN.Cl
• Canonical SMILES: NCC1OCCN(C1)S(=O)(=O)C.Cl
• InChI: InChI=1S/C6H14N2O3S.ClH/c1-12(9,10)8-2-3-11-6(4-7)5-8;/h6H,2-5,7H2,1H3;1H
• InChIKey: BUNDFUFGYVOJEV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methanesulfonylmorpholin-2-yl)methanamine hydrochloride
• IUPAC传统名: (4-methanesulfonylmorpholin-2-yl)methanamine hydrochloride
• 别名: [4-(Methylsulfonyl)morpholin-2-yl]methylamine hydrochloride; 1-[4-(Methylsulfonyl)-2-morpholinyl]methanamine hydrochloride

登记号

• MDL号: MFCD12027118
• PubChem SID: 160997910
• PubChem CID: 46736964

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -4.9596133
• LogD (pH = 7.4): -3.677991
• Log P: -2.0436146
• 摩尔折射率: 44.5548 cm^3
• 极化性: 18.678053 Å^3
• 极化表面积: 72.63 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• Empirical Formula (Hill Notation): C6H15ClN2O3S

详细说明

Sigma Aldrich - CBR00925

Other Notes
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