Einecs 261-755-1

Base Information

• Chemical Name: Einecs 261-755-1
• CAS No.: 59426-40-3
• Molecular Formula: C16H27N7O7S
• Molecular Weight: 461.4933
• European Community (EC) Number: 261-755-1
• DSSTox Substance ID: DTXSID10208151
• Mol file: 59426-40-3.mol

Synonyms:EINECS 261-755-1;59426-40-3;N-Acetyl-L-cysteine, compound with ethane-1,2-diamine (1:1), mono(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate);DTXSID10208151;C9H10N4O4.C5H9NO3S.C2H8N2;C9-H10-N4-O4.C5-H9-N-O3-S.C2-H8-N2

Chemical Property of Einecs 261-755-1

Chemical Property:

• Vapor Pressure: 3.48E-13mmHg at 25°C
• Boiling Point: 555.7°Cat760mmHg
• Flash Point: 289.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 461.16926740
• Heavy Atom Count: 31
• Complexity: 539

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(CS)C(=O)O.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C(CN)N
• Isomeric SMILES: CC(=O)N[C@@H](CS)C(=O)O.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C(CN)N