Hepsulfam

Base Information

• Chemical Name: Hepsulfam
• CAS No.: 96892-57-8
• Molecular Formula: C₇H₁₈N₂O₆S₂
• Molecular Weight: 290.362
• NSC Number: 329680
• UNII: 971DU2GQ51
• DSSTox Substance ID: DTXSID90242619
• Nikkaji Number: J373.683K
• Wikidata: Q83126426
• NCI Thesaurus Code: C1123
• Pharos Ligand ID: KWRLKKJS76T3
• ChEMBL ID: CHEMBL182440
• Mol file: 96892-57-8.mol

Synonyms:1,7-heptanediol disulfamate;1,7-heptanediyl disulfamate;hepsulfam;NSC 329680;NSC-329680;sulfamic acid 1,7-heptanediyl ester

Chemical Property of Hepsulfam

Chemical Property:

• Vapor Pressure: 2.63E-09mmHg at 25°C
• Melting Point: 94-95 °C
• Boiling Point: 478.2°C at 760 mmHg
• PKA: 9.10±0.70(Predicted)
• Flash Point: 243°C
• PSA: 155.54000
• Density: 1.407g/cm³
• LogP: 2.93930
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 290.06062865
• Heavy Atom Count: 17
• Complexity: 342

Purity/Quality:

97% ^*data from raw suppliers

HEPSULFAM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N

Technology Process of Hepsulfam

There total 1 articles about Hepsulfam which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,7-heptandiol (629-30-1) → sulfamic acid 1,7-heptanediyl ester (96892-57-8)

Guidance literature:

With sulphamoyl chloride; In N,N-dimethyl acetamide;

DOI:10.1016/j.bmcl.2004.11.058

upstream raw materials:

1,7-heptandiol