| CAS Number | 1179367-69-1 |
| Catalog Number | AG00J3UN(AGN-PC-0WB7L8) |
| Chemical Name | 1-(Furan-2-yl)-N-(thiophen-2-ylmethyl)but-3-en-1-amine hydrochloride |
| IUPAC Name | 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)but-3-en-1-amine;hydrochloride |
| InChI | InChI=1S/C13H15NOS.ClH/c1-2-5-12(13-7-3-8-15-13)14-10-11-6-4-9-16-11;/h2-4,6-9,12,14H,1,5,10H2;1H |
| InChI Key | FTDUIGLXJQVQKS-UHFFFAOYSA-N |
| MDL Number | MFCD03807264 |
| Molecular Formula | C13H16ClNOS |
| Molecular Weight | 269.7902 |
| SMILES | C1(C(CC=C)NCC2=CC=CS2)=CC=CO1.Cl |
| Synonyms | 1179367-69-1,
1-(Furan-2-yl)-N-(thiophen-2-ylmethyl)but-3-en-1-amine hydrochloride,
C13H16ClNOS,
ZX-CM017135,
AKOS027426076,
MCULE-2509512654,
[1-(2-Furyl)-3-buten-1-yl](2-thienylmethyl)amine hydrochloride,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.064113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.79g/mol |
| Monoisotopic Mass | 269.064113g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 53.4Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number