| CAS Number | 1171451-28-7 |
| Catalog Number | AG019N09 |
| Chemical Name | 2-{[2-(diethylamino)ethyl]sulfanyl}acetic acid hydrochloride |
| IUPAC Name | 2-[2-(diethylamino)ethylsulfanyl]acetic acid;hydrochloride |
| InChI | InChI=1S/C8H17NO2S.ClH/c1-3-9(4-2)5-6-12-7-8(10)11;/h3-7H2,1-2H3,(H,10,11);1H |
| InChI Key | MXEMITNCEQWBOL-UHFFFAOYSA-N |
| MDL Number | MFCD11099627 |
| Molecular Formula | C8H18ClNO2S |
| Molecular Weight | 227.7520 |
| SMILES | Cl.CCN(CCSCC(O)=O)CC |
| Synonyms | 2-{[2-(diethylamino)ethyl]sulfanyl}acetic acid hydrochloride,
1171451-28-7,
{[2-(diethylamino)ethyl]thio}acetic acid hydrochloride,
AC1Q39SM,
CTK6E8542,
AKOS030715122,
MCULE-6141762485,
NE20091,
EN300-39073,
Z1695703940,
([2-(diethylamino)ethyl]thio)acetic acid hydrochloride,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.747g/mol |
| Monoisotopic Mass | 227.075g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 65.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number