| CAS Number | 1048664-63-6 |
| Catalog Number | AG00J3Z3 |
| Chemical Name | N-[(5-methyl-2-thienyl)methyl]-1-butanamine hydrochloride |
| IUPAC Name | N-[(5-methylthiophen-2-yl)methyl]butan-1-amine;hydrochloride |
| InChI | InChI=1S/C10H17NS.ClH/c1-3-4-7-11-8-10-6-5-9(2)12-10;/h5-6,11H,3-4,7-8H2,1-2H3;1H |
| InChI Key | XGMVGLRYROIWKZ-UHFFFAOYSA-N |
| MDL Number | MFCD07105462 |
| Molecular Formula | C10H18ClNS |
| Molecular Weight | 219.7746 |
| SMILES | S1C(C)=CC=C1CNCCCC.Cl |
| Synonyms | N-[(5-Methyl-2-thienyl)methyl]-1-butanamine hydrochloride,
1048664-63-6,
ZX-CM018005,
MFCD07105462,
893611-64-8,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.771g/mol |
| Monoisotopic Mass | 219.085g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number