| CAS Number | 71398-49-7 |
| Catalog Number | AG00VWS4(AGN-PC-0WBL2L) |
| Chemical Name | [4-(Pyrrolidine-1-sulfonyl)phenyl]methanamine hydrochloride |
| IUPAC Name | (4-pyrrolidin-1-ylsulfonylphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C11H16N2O2S.ClH/c12-9-10-3-5-11(6-4-10)16(14,15)13-7-1-2-8-13;/h3-6H,1-2,7-9,12H2;1H |
| InChI Key | ZVYKINGCZINYQW-UHFFFAOYSA-N |
| MDL Number | MFCD11857920 |
| Molecular Formula | C11H17ClN2O2S |
| Molecular Weight | 276.7829 |
| SMILES | Cl.NCC1=CC=C(S(N2CCCC2)(=O)=O)C=C1 |
| Synonyms | [4-(pyrrolidine-1-sulfonyl)phenyl]methanamine hydrochloride,
71398-49-7,
AC1Q3D7C,
CTK8F2521,
AKOS015949080,
MCULE-1969337655,
NE15314,
EN300-42584,
[4-(pyrrolidin-1-ylsulfonyl)benzyl]amine hydrochloride,
Z432066964,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.779g/mol |
| Monoisotopic Mass | 276.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number