| CAS Number | 852940-59-1 |
| Catalog Number | AG00IDMH(AGN-PC-0WO60O) |
| Chemical Name | N-[1-(1,3-Benzothiazol-2-yl)ethyl]-n-methylamine |
| IUPAC Name | 1-(1,3-benzothiazol-2-yl)-N-methylethanamine |
| InChI | InChI=1S/C10H12N2S/c1-7(11-2)10-12-8-5-3-4-6-9(8)13-10/h3-7,11H,1-2H3 |
| InChI Key | DHWUMSIEDZZPHJ-UHFFFAOYSA-N |
| MDL Number | MFCD06655860 |
| Molecular Formula | C10H12N2S |
| Molecular Weight | 192.2807 |
| SMILES | CNC(C1SC2=C(C=CC=C2)N=1)C |
| Synonyms | [1-(1,3-benzothiazol-2-yl)ethyl](methyl)amine,
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methylamine,
852940-59-1,
AC1NLQMU,
AC1Q40SX,
CTK6I4665,
HMS1788D11,
MFCD06655860,
AKOS000264247,
AKOS017274275,
MCULE-5340734163,
NE62366,
EN300-13448,
1-(1,3-benzothiazol-2-yl)-N-methylethanamine,
Z90122149,
CID4962438,
1-benzothiazol-2-yl-N-methyl-ethanamine,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.28g/mol |
| Monoisotopic Mass | 192.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number