| CAS Number | 902775-92-2 |
| Catalog Number | AG019XTZ |
| Chemical Name | tert-Butyl n-(2-[(3-aminobenzene)sulfonamido]ethyl)carbamate |
| IUPAC Name | tert-butyl N-[2-[(3-aminophenyl)sulfonylamino]ethyl]carbamate |
| InChI | InChI=1S/C13H21N3O4S/c1-13(2,3)20-12(17)15-7-8-16-21(18,19)11-6-4-5-10(14)9-11/h4-6,9,16H,7-8,14H2,1-3H3,(H,15,17) |
| InChI Key | UJZQPLOFKPJIAN-UHFFFAOYSA-N |
| MDL Number | MFCD14705598 |
| Molecular Formula | C13H21N3O4S |
| Molecular Weight | 315.3885 |
| SMILES | NC=1C=C(C=CC1)S(=O)(=O)NCCNC(OC(C)(C)C)=O |
| Synonyms | tert-butyl N-[2-(3-aminobenzenesulfonamido)ethyl]carbamate,
902775-92-2,
tert-butyl N-{2-[(3-aminobenzene)sulfonamido]ethyl}carbamate,
AC1Q1NFW,
ZINC39947451,
AKOS034722385,
MCULE-5292889695,
NE15841,
EN300-56040,
Z951367614,
tert-butyl n-(2-[(3-aminobenzene)sulfonamido]ethyl)carbamate,
|
| Complexity | 439 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.388g/mol |
| Monoisotopic Mass | 315.125g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number