| CAS Number | 36700-39-7 |
| Catalog Number | AG00C9D3 |
| Chemical Name | (E)-N-(3-Methylaminopropyl)-2-thiopheneacrylamide |
| IUPAC Name | (E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide |
| InChI | InChI=1S/C11H16N2OS/c1-12-7-3-8-13-11(14)6-5-10-4-2-9-15-10/h2,4-6,9,12H,3,7-8H2,1H3,(H,13,14)/b6-5+ |
| InChI Key | NQKWXBJGZHHURS-AATRIKPKSA-N |
| MDL Number | MFCD12084476 |
| Molecular Formula | C11H16N2OS |
| Molecular Weight | 224.3225 |
| SMILES | CNCCCNC(\C=C\C=1SC=CC1)=O |
| Synonyms | 36700-39-7,
(E)-N-(3-Methylaminopropyl)-2-thiopheneacrylamide,
(2E)-N-[3-(Methylamino)propyl]-3-(thiophen-2-yl)prop-2-enamide,
DTXSID50656218,
ZINC36280119,
(E)-N-[3-(Methylamino)propyl]-3-(2-thienyl)-2-propenamide,
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide,
(E)-N-[3-(Methylamino)propyl]-3-(thiophen-2-yl)prop-2-enamide,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 224.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.322g/mol |
| Monoisotopic Mass | 224.098g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number