| CAS Number | 937667-44-2 |
| Catalog Number | AG019XF7(AGN-PC-0WO411) |
| Chemical Name | N-((5-Methylthiophen-2-yl)methyl)propan-2-amine |
| IUPAC Name | N-[(5-methylthiophen-2-yl)methyl]propan-2-amine |
| InChI | InChI=1S/C9H15NS/c1-7(2)10-6-9-5-4-8(3)11-9/h4-5,7,10H,6H2,1-3H3 |
| InChI Key | QSEGGAKJDUJEOG-UHFFFAOYSA-N |
| MDL Number | MFCD08757428 |
| Molecular Formula | C9H15NS |
| Molecular Weight | 169.2871 |
| SMILES | CC(NCC1=CC=C(C)S1)C |
| Synonyms | [(5-methylthiophen-2-yl)methyl](propan-2-yl)amine,
937667-44-2,
AC1Q1QCC,
STL308589,
ZINC10435901,
AKOS000321032,
MCULE-8539083035,
NE24994,
EN300-54836,
N-[(5-methylthiophen-2-yl)methyl]propan-2-amine,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.286g/mol |
| Monoisotopic Mass | 169.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number