| CAS Number | 56125-49-6 |
| Catalog Number | AG00DAVC(AGN-PC-00P98P) |
| Chemical Name | N-(3-aminopropyl)-4-methylbenzenesulfonamide |
| IUPAC Name | N-(3-aminopropyl)-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C10H16N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11/h3-6,12H,2,7-8,11H2,1H3 |
| InChI Key | CYKXMJPJALYMBC-UHFFFAOYSA-N |
| MDL Number | MFCD03634548 |
| Molecular Formula | C10H16N2O2S |
| Molecular Weight | 228.3112 |
| SMILES | S(NCCCN)(=O)(=O)C1C=CC(=CC=1)C |
| Synonyms | N-(3-aminopropyl)-4-methylbenzenesulfonamide,
56125-49-6,
CHEMBRDG-BB 7371746,
tosyltrimethylenediamine,
N-Tosyltrimethylenediamine,
SCHEMBL7628596,
CHEMBL2448847,
CTK5A4664,
DTXSID70572840,
ZINC6480044,
MFCD03634548,
STK259948,
AKOS000202174,
MCULE-6212196880,
AJ-56218,
Y-0728,
Benzenesulfonamide, N-(3-aminopropyl)-4-methyl-,
N-(3-Aminopropyl)-4-methylbenzene-1-sulfonamide,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.31g/mol |
| Monoisotopic Mass | 228.093g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number