| CAS Number | 1158591-85-5 |
| Catalog Number | AG01A854(AGN-PC-0WOUUD) |
| Chemical Name | 2-{[(thiophen-3-yl)methyl]amino}ethan-1-ol hydrochloride |
| IUPAC Name | 2-(thiophen-3-ylmethylamino)ethanol;hydrochloride |
| InChI | InChI=1S/C7H11NOS.ClH/c9-3-2-8-5-7-1-4-10-6-7;/h1,4,6,8-9H,2-3,5H2;1H |
| InChI Key | VODXQHJXAMPAKD-UHFFFAOYSA-N |
| MDL Number | MFCD07170344 |
| Molecular Formula | C7H12ClNOS |
| Molecular Weight | 193.6943 |
| SMILES | Cl.OCCNCC1=CSC=C1 |
| Synonyms | 2-[(thiophen-3-ylmethyl)amino]ethan-1-ol hydrochloride,
1158591-85-5,
AC1Q3F9X,
CTK8A5390,
AKOS008045533,
MCULE-3273810583,
NE51271,
EN300-60753,
2-[(3-thienylmethyl)amino]ethanol hydrochloride,
|
| Complexity | 89.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.689g/mol |
| Monoisotopic Mass | 193.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number