| CAS Number | 854304-24-8 |
| Catalog Number | AG00IDNX |
| Chemical Name | (4-((Methylsulfonyl)methyl)phenyl)methanamine |
| IUPAC Name | [4-(methylsulfonylmethyl)phenyl]methanamine |
| InChI | InChI=1S/C9H13NO2S/c1-13(11,12)7-9-4-2-8(6-10)3-5-9/h2-5H,6-7,10H2,1H3 |
| InChI Key | SZHQMBFLAZHRLB-UHFFFAOYSA-N |
| MDL Number | MFCD12912743 |
| Molecular Formula | C9H13NO2S |
| Molecular Weight | 199.2700 |
| SMILES | CS(=O)(=O)CC1=CC=C(C=C1)CN |
| Synonyms | [4-(methanesulfonylmethyl)phenyl]methanamine,
854304-24-8,
(4-((Methylsulfonyl)methyl)phenyl)methanamine,
AC1Q4GM3,
SCHEMBL19580461,
CTK8F2515,
ZINC36378439,
AKOS008130596,
MCULE-6023217358,
NE15602,
AJ-92702,
(4-(Methylsulfonylmethyl)phenyl)methanamine,
EN300-41349,
Z234897389,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.268g/mol |
| Monoisotopic Mass | 199.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number