| CAS Number | 1158585-38-6 |
| Catalog Number | AG00J42T(AGN-PC-0WB7SP) |
| Chemical Name | N-((3-Methylthiophen-2-yl)methyl)butan-2-amine hydrochloride |
| IUPAC Name | N-[(3-methylthiophen-2-yl)methyl]butan-2-amine;hydrochloride |
| InChI | InChI=1S/C10H17NS.ClH/c1-4-9(3)11-7-10-8(2)5-6-12-10;/h5-6,9,11H,4,7H2,1-3H3;1H |
| InChI Key | HUERUCBOUKRXEH-UHFFFAOYSA-N |
| MDL Number | MFCD07107540 |
| Molecular Formula | C10H18ClNS |
| Molecular Weight | 219.7746 |
| SMILES | C1(CNC(C)CC)SC=CC=1C.Cl |
| Synonyms | 1158585-38-6,
N-[(3-Methyl-2-thienyl)methyl]-2-butanamine hydrochloride,
N-((3-Methylthiophen-2-yl)methyl)butan-2-amine hydrochloride,
KS-00001LQ2,
ZX-CM018318,
MFCD07107540,
AKOS027386504,
N-[(3-methyl-2-thienyl)methyl]butan-2-amine hydrochloride,
(butan-2-yl)[(3-methylthiophen-2-yl)methyl]amine hydrochloride,
|
| Complexity | 127 |
| 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 | 4 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number