| CAS Number | 128668-80-4 |
| Catalog Number | AG019U3Z(AGN-PC-0NHYGW) |
| Chemical Name | [(4-methanesulfinylphenyl)methyl](methyl)amine |
| IUPAC Name | N-methyl-1-(4-methylsulfinylphenyl)methanamine |
| InChI | InChI=1S/C9H13NOS/c1-10-7-8-3-5-9(6-4-8)12(2)11/h3-6,10H,7H2,1-2H3 |
| InChI Key | ILRUWCDVYZQVNX-UHFFFAOYSA-N |
| MDL Number | MFCD20547530 |
| Molecular Formula | C9H13NOS |
| Molecular Weight | 183.2706 |
| SMILES | CNCC1=CC=C(S(C)=O)C=C1 |
| Synonyms | [(4-methanesulfinylphenyl)methyl](methyl)amine,
128668-80-4,
SCHEMBL7375867,
ILRUWCDVYZQVNX-UHFFFAOYSA-N,
AKOS033277690,
MCULE-8914404810,
N-Methyl-4-(methylsulfinyl)benzylamine,
NE16652,
N-methyl-N(4-methylsulfinylbenzyl)amine,
N-methyl-N-(4-methylsulfinylbenzyl)amine,
Z1346370747,
N-methyl-1-(4-(methylsulfinyl)phenyl)methanamine,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.269g/mol |
| Monoisotopic Mass | 183.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number