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

• ChemBase ID: 130542
• Molecular Formular: C8H10N3NaO3S
• Molecular Mass: 251.23807
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

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

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: -2.0387619
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.9763149
• LogD (pH = 7.4): -1.0532887
• Log P: 0.2760169
• Molar Refractivity: 57.2016 cm^3
• Polarizability: 21.424171 Å^3
• Polar Surface Area: 85.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: CZ1750000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21-25-52/53
• Safety Statements: 36/37-45-61
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H412
• GHS Precautionary statements: P273-P280-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: -20°C

Product Information

• Purity: ≥98%
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1000 mg
• Linear Formula: C8H10N3O3SNa

DETAILS

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
Legal Information
PESTANAL is a registered trademark of 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