| CAS Number | 1384429-95-1 |
| Catalog Number | AG019ZFA(AGN-PC-0WOVRR) |
| Chemical Name | 1-(1,3-benzothiazol-2-yl)propan-2-amine dihydrochloride |
| IUPAC Name | 1-(1,3-benzothiazol-2-yl)propan-2-amine;dihydrochloride |
| InChI | InChI=1S/C10H12N2S.2ClH/c1-7(11)6-10-12-8-4-2-3-5-9(8)13-10;;/h2-5,7H,6,11H2,1H3;2*1H |
| InChI Key | YOMGIENJBDTFCV-UHFFFAOYSA-N |
| MDL Number | MFCD22369931 |
| Molecular Formula | C10H14Cl2N2S |
| Molecular Weight | 265.2026 |
| SMILES | Cl.Cl.CC(CC1SC2=C(C=CC=C2)N=1)N |
| Synonyms | 1-(1,3-benzothiazol-2-yl)propan-2-amine dihydrochloride,
1384429-95-1,
AKOS026744728,
MCULE-2795665749,
NE25866,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.196g/mol |
| Monoisotopic Mass | 264.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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