| CAS Number | 1052089-49-2 |
| Catalog Number | AG00949K(AGN-PC-0WR4J6) |
| Chemical Name | 1-[4-(Aminomethyl)phenyl]-n-isopropylmethanesulfonamide, HCl |
| IUPAC Name | 1-[4-(aminomethyl)phenyl]-N-propan-2-ylmethanesulfonamide;hydrochloride |
| InChI | InChI=1S/C11H18N2O2S.ClH/c1-9(2)13-16(14,15)8-11-5-3-10(7-12)4-6-11;/h3-6,9,13H,7-8,12H2,1-2H3;1H |
| InChI Key | QEVXKMPREHYGPY-UHFFFAOYSA-N |
| MDL Number | MFCD08245263 |
| Molecular Formula | C11H19ClN2O2S |
| Molecular Weight | 278.7988 |
| SMILES | Cl.CC(NS(CC1=CC=C(CN)C=C1)(=O)=O)C |
| Synonyms | 1052089-49-2,
1-[4-(Aminomethyl)phenyl]-n-isopropylmethanesulfonamide, HCl,
1-[4-(aminomethyl)phenyl]-N-isopropylmethanesulfonamide hydrochloride,
1-[4-(aminomethyl)phenyl]-N-(propan-2-yl)methanesulfonamide hydrochloride,
1-[4-(Aminomethyl)phenyl]-n-isopropylmethanesulfonamide HCl,
C11H18N2O2S.HCl,
AC1Q394Y,
CTK7E4519,
MFCD08245263,
AKOS026672400,
MCULE-4158348725,
NE22862,
Z6789,
EN300-24190,
Z188923980,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.795g/mol |
| Monoisotopic Mass | 278.086g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number