| CAS Number | 1049721-78-9 |
| Catalog Number | AG00HAH5(AGN-PC-0WR4GR) |
| Chemical Name | {2-[(morpholine-4-sulfonyl)methyl]phenyl}methanamine hydrochloride |
| IUPAC Name | [2-(morpholin-4-ylsulfonylmethyl)phenyl]methanamine;hydrochloride |
| InChI | InChI=1S/C12H18N2O3S.ClH/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;1H |
| InChI Key | OBCWKCDYXBKNDB-UHFFFAOYSA-N |
| MDL Number | MFCD07850228 |
| Molecular Formula | C12H19ClN2O3S |
| Molecular Weight | 306.8089 |
| SMILES | Cl.NCC1=C(CS(N2CCOCC2)(=O)=O)C=CC=C1 |
| Synonyms | 1049721-78-9,
{2-[(morpholine-4-sulfonyl)methyl]phenyl}methanamine hydrochloride,
1-{2-[(morpholin-4-ylsulfonyl)methyl]phenyl}methanamine hydrochloride,
EN300-23981,
1-[2-[(morpholin-4-ylsulfonyl)methyl]phenyl]methanamine hydrochloride,
AC1Q3D5Y,
MLS002244812,
CHEMBL1881288,
CTK7E6046,
MFCD07850228,
MCULE-5865421274,
NE62404,
SMR001308485,
Z169511942,
1-[2-[(Morpholin-4-ylsulfonyl)methyl]phenyl]methanamine, HCl,
{2-[(4-Morpholinylsulfonyl)methyl]phenyl}methanamine hydrochloride,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.805g/mol |
| Monoisotopic Mass | 306.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number