| CAS Number | 104864-08-6 |
| Catalog Number | AG01AMSR(AGN-PC-0NVWVN) |
| Chemical Name | 3-(4-Chlorobenzenesulfonyl)propan-1-amine hydrochloride |
| IUPAC Name | 3-(4-chlorophenyl)sulfonylpropan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H12ClNO2S.ClH/c10-8-2-4-9(5-3-8)14(12,13)7-1-6-11;/h2-5H,1,6-7,11H2;1H |
| InChI Key | PPHIKIBLUMVBRR-UHFFFAOYSA-N |
| MDL Number | MFCD15201832 |
| Molecular Formula | C9H13Cl2NO2S |
| Molecular Weight | 270.1760 |
| SMILES | Cl.NCCCS(C1=CC=C(Cl)C=C1)(=O)=O |
| Synonyms | 104864-08-6,
3-(4-Chlorobenzenesulfonyl)-propylamine hydrochloride,
3-(4-chlorobenzenesulfonyl)propan-1-amine hydrochloride,
AKOS030229838,
A1-03245,
{3-[(4-chlorophenyl)sulfonyl]propyl}amine hydrochloride,
3-(4-Chloro-benzenesulfonyl)-propylamine; hydrochloride,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.168g/mol |
| Monoisotopic Mass | 269.004g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number