| CAS Number | 98510-52-2 |
| Catalog Number | AG019Y3X(AGN-PC-0LL0GQ) |
| Chemical Name | 3-(benzenesulfonyl)propan-1-amine |
| IUPAC Name | 3-(benzenesulfonyl)propan-1-amine |
| InChI | InChI=1S/C9H13NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2 |
| InChI Key | GHNFGRIDWGVTNH-UHFFFAOYSA-N |
| MDL Number | MFCD06213849 |
| Molecular Formula | C9H13NO2S |
| Molecular Weight | 199.2700 |
| SMILES | NCCCS(C1=CC=CC=C1)(=O)=O |
| Synonyms | 3-(benzenesulfonyl)propan-1-amine,
98510-52-2,
1-Propanamine, 3-(phenylsulfonyl)-,
AC1NMEK9,
AC1Q54JU,
SCHEMBL4409970,
CHEMBL2448850,
CTK7E8544,
ZINC2513172,
AKOS000181735,
MCULE-7502850366,
NE18100,
3-(PHENYLSULFONYL)PROPAN-1-AMINE,
AJ-36815,
SC-39605,
EN300-56926,
CID5007910,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.268g/mol |
| Monoisotopic Mass | 199.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number