sodium (E)-N-{[4-(dimethylamino)phenyl]imino}sulfamate

• ChemBase编号: 130542
• 分子式: C8H10N3NaO3S
• 平均质量: 251.23807
• 单一同位素质量: 251.03405648
• SMILES: CN(C)c1ccc(cc1)/N=N/S(=O)(=O)[O-].[Na+]
• Canonical SMILES: CN(c1ccc(cc1)/N=N/S(=O)(=O)[O-])C.[Na+]
• InChI: InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1/b10-9+
• InChIKey: IWDQPCIQCXRBQP-RRABGKBLSA-M

名称和登记号

名称

• IUPAC标准名: sodium (E)-N-{[4-(dimethylamino)phenyl]imino}sulfamate; sodium N-{[4-(dimethylamino)phenyl]imino}sulfamate
• IUPAC传统名: sodium (E)-N-{[4-(dimethylamino)phenyl]imino}sulfamate; sodium N-{[4-(dimethylamino)phenyl]imino}sulfamate
• 别名: 对二甲氨基苯重氮磺酸 钠盐; 敌克松; 敌克松; p-Diazodimethylaniline sodium sulfonate; Sodium [4-(dimethylamino)phenyl]diazenesulfonate; Fenaminosulf; 250MG - Dexon; Fenaminosulf; Dexon; 4-Dimethylaminobenzenediazosulfonic acid sodium salt

登记号

• CAS号: 140-56-7
• EC号: 205-419-4
• MDL号: MFCD00059900
• Beilstein号: 4170376
• PubChem SID: 24868976; 24893570; 24899174; 162224820
• PubChem CID: 23668198

理论计算性质

• Acid pKa: -2.0387619
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -0.9763149
• LogD (pH = 7.4): -1.0532887
• Log P: 0.2760169
• 摩尔折射率: 57.2016 cm^3
• 极化性: 21.424171 Å^3
• 极化表面积: 85.16 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: CZ1750000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 21-25-52/53
• 安全公开号: 36/37-45-61
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H312-H412
• GHS警示性声明: P273-P280-P301 + P310
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98%
• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 1000 mg
• 线性分子式: C8H10N3O3SNa

详细说明

Sigma Aldrich - D1928

包装
1 g in glass bottle
Application
Used in biological and pharmacological studies including:
• Cloning and characterization of GABA transporter1
• Activity of anti-RSV carbonucleosides2
• Inhibition by fungicides of urea hydrolysis and nitrification of urea nitrogen in soil3

Sigma Aldrich - 45482

Application
Used in biological and pharmacological studies including:
• Cloning and characterization of GABA transporter1
• Activity of anti-RSV carbonucleosides2
• Inhibition by fungicides of urea hydrolysis and nitrification of urea nitrogen in soil3
法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - PS262

Application
Used in biological and pharmacological studies including:
• Cloning and characterization of GABA transporter1
• Activity of anti-RSV carbonucleosides2
• Inhibition by fungicides of urea hydrolysis and nitrification of urea nitrogen in soil3