Disodium {[(4-methylbenzene-1-sulfonyl)azanediyl]di(propane-3,1-diyl)}bis[(4-methylbenzene-1-sulfonyl)azanide]
Basic information
- CAS
56479-75-5- Standard SMILES
Cc1ccc(S(=O)(=O)[N-]CCCN(CCC[N-]S(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.[Na+].[Na+]- InChIKey
LOPGIMSUDLVNEQ-UHFFFAOYSA-N- Molecular formula
- C27H33N3Na2O6S3
- Average molar mass
- 637.7 g/mol
- Monoisotopic mass
- 637.13268787
Names & identifiers
- Preferred name
- Disodium {[(4-methylbenzene-1-sulfonyl)azanediyl]di(propane-3,1-diyl)}bis[(4-methylbenzene-1-sulfonyl)azanide]
- IUPAC
- disodium;(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonyl-[3-(4-methylphenyl)sulfonylazanidylpropyl]amino]propyl]azanide
Names & synonyms
56479-75-5[(4-methylphenyl)sulfonyl]{3-[[(4-methylphenyl)sulfonyl](3-{[(4-methylphenyl)s ulfonyl]amino}propyl)amino]propyl}amine, sodium salt, sodium saltSCHEMBL8200641DTXSID90485206SBB057610AKOS024370811ST51006678Disodium {[(4-methylbenzene-1-sulfonyl)azanediyl]di(propane-3,1-diyl)}bis[(4-methylbenzene-1-sulfonyl)azanide]
Database identifiers
- CAS
56479-75-5- PubChem CID
- 24939775
- DTXSID
DTXSID90485206- EC Number
- 637-191-0
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 980
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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