| CAS Number | 1050213-96-1 |
| Catalog Number | AG00J41P |
| Chemical Name | N,N-dimethyl-N'-[(5-methyl-2-thienyl)methyl]-1,2-ethanediamine dihydrochloride |
| IUPAC Name | N',N'-dimethyl-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine;dihydrochloride |
| InChI | InChI=1S/C10H18N2S.2ClH/c1-9-4-5-10(13-9)8-11-6-7-12(2)3;;/h4-5,11H,6-8H2,1-3H3;2*1H |
| InChI Key | JLTXOCJZHRBUPR-UHFFFAOYSA-N |
| MDL Number | MFCD07111363 |
| Molecular Formula | C10H20Cl2N2S |
| Molecular Weight | 271.2502 |
| SMILES | S1C(C)=CC=C1CNCCN(C)C.Cl.Cl |
| Synonyms | N,N-Dimethyl-N'-[(5-methyl-2-thienyl)methyl]-1,2-ethanediamine dihydrochloride,
1050213-96-1,
ZX-CM018202,
MFCD07111363,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.244g/mol |
| Monoisotopic Mass | 270.072g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number