| CAS Number | 1041546-96-6 |
| Catalog Number | AG019UE7 |
| Chemical Name | 2-(3,4-Dichlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4h)-yl)ethanamine |
| IUPAC Name | 2-(3,4-dichlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine |
| InChI | InChI=1S/C15H16Cl2N2S/c16-12-2-1-10(7-13(12)17)14(8-18)19-5-3-15-11(9-19)4-6-20-15/h1-2,4,6-7,14H,3,5,8-9,18H2 |
| InChI Key | QUFWIDQUOJYCGA-UHFFFAOYSA-N |
| MDL Number | MFCD11618148 |
| Molecular Formula | C15H16Cl2N2S |
| Molecular Weight | 327.2719 |
| SMILES | NCC(C1=CC(Cl)=C(Cl)C=C1)N1CC2=C(SC=C2)CC1 |
| Synonyms | 2-(3,4-dichlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine,
1041546-96-6,
2-(3,4-dichlorophenyl)-2-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanamine,
AC1Q53N2,
CTK7E2206,
AKOS008095985,
MCULE-7283001310,
NE22784,
EN300-41386,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.267g/mol |
| Monoisotopic Mass | 326.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number