| CAS Number | 869947-61-5 |
| Catalog Number | AG019MQO |
| Chemical Name | 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline |
| IUPAC Name | 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline |
| InChI | InChI=1S/C14H17NS/c1-3-12-5-7-13(8-6-12)15-10-14-9-4-11(2)16-14/h4-9,15H,3,10H2,1-2H3 |
| InChI Key | LVGFANAILVSSMV-UHFFFAOYSA-N |
| MDL Number | MFCD04550285 |
| Molecular Formula | C14H17NS |
| Molecular Weight | 231.3565 |
| SMILES | CCC1=CC=C(NCC2SC(C)=CC=2)C=C1 |
| Synonyms | 4-ethyl-N-[(5-methylthiophen-2-yl)methyl]aniline,
869947-61-5,
N-(4-ethylphenyl)-N-[(5-methylthien-2-yl)methyl]amine,
AC1LITNM,
AC1Q2TOD,
CTK6D1613,
ZINC571467,
AKOS008967580,
MCULE-8599408684,
NE22304,
EN300-36973,
Z57327702,
CID961667,
ZINC00571467,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.357g/mol |
| Monoisotopic Mass | 231.108g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number