| CAS Number | 52601-80-6 |
| Catalog Number | AG00DIWI(AGN-PC-0SD4BB) |
| Chemical Name | N,N',N''-TRI-P-TOSYLDIETHYLENETRIAMINE, DISODIUM SALT |
| IUPAC Name | disodium;(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylethyl]amino]ethyl]azanide |
| InChI | InChI=1S/C25H29N3O6S3.2Na/c1-20-4-10-23(11-5-20)35(29,30)26-16-18-28(37(33,34)25-14-8-22(3)9-15-25)19-17-27-36(31,32)24-12-6-21(2)7-13-24;;/h4-15H,16-19H2,1-3H3;;/q-2;2*+1 |
| InChI Key | HWXFIPYUNYRUJA-UHFFFAOYSA-N |
| MDL Number | MFCD00134388 |
| Molecular Formula | C25H29N3Na2O6S3 |
| Molecular Weight | 609.6888 |
| SMILES | S(C1=CC=C(C)C=C1)(N(CC[N-]S(C1=CC=C(C)C=C1)(=O)=O)CC[N-]S(C1=CC=C(C)C=C1)(=O)=O)(=O)=O.[Na+].[Na+] |
| Synonyms | 52601-80-6,
N,N',N"-Tritosyldiethylenetriamine disodium salt,
N,N',N''-Tri-p-tosyldiethylenetriamine,disodium salt,
N,N',N''-Tritosyldiethylenetriamine disodium salt, 97%,
sodium 2,2'-(tosylazanediyl)bis(ethane-2,1-diyl)bis(tosylamide),
N,N inverted exclamation marka,N inverted exclamation marka inverted exclamation marka-Tritosyldiethylenetriamine disodium salt,
CID3338046,
CID 3338046,
|
| Complexity | 960 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 609.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 609.682g/mol |
| Monoisotopic Mass | 609.101g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number