| CAS Number | 923213-31-4 |
| Catalog Number | AG019N4S(AGN-PC-0MN3BS) |
| Chemical Name | 1-(2-[(Morpholin-4-ylsulfonyl)methyl]phenyl)methanamine |
| IUPAC Name | [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine |
| InChI | InChI=1S/C12H18N2O3S/c13-9-11-3-1-2-4-12(11)10-18(15,16)14-5-7-17-8-6-14/h1-4H,5-10,13H2 |
| InChI Key | AJHVMHVPGHXSRV-UHFFFAOYSA-N |
| MDL Number | MFCD08444208 |
| Molecular Formula | C12H18N2O3S |
| Molecular Weight | 270.3479 |
| SMILES | NCC1=C(CS(N2CCOCC2)(=O)=O)C=CC=C1 |
| Synonyms | {2-[(morpholine-4-sulfonyl)methyl]phenyl}methanamine,
1-{2-[(morpholin-4-ylsulfonyl)methyl]phenyl}methanamine,
923213-31-4,
AC1PKRPU,
[2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine,
AC1Q53S7,
CHEMBL1907103,
CTK7E6045,
ZINC7986273,
AKOS009085544,
MCULE-9764075998,
NE13844,
EN300-39401,
(2-(morpholinosulfonylmethyl)phenyl)methanamine,
1-(2-[(morpholin-4-ylsulfonyl)methyl]phenyl)methanamine, AldrichCPR,
CID9115250,
Benzenemethanamine, 2-[(4-morpholinylsulfonyl)methyl],
1-[2-[(morpholin-4-ylsulfonyl)methyl]phenyl]methanamine hydrochloride,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.347g/mol |
| Monoisotopic Mass | 270.104g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number