| CAS Number | 1182986-24-8 |
| Catalog Number | AG01BIZI |
| Chemical Name | N-[(1,3-Benzothiazol-2-yl)methyl]cyclopropanamine |
| IUPAC Name | N-(1,3-benzothiazol-2-ylmethyl)cyclopropanamine |
| InChI | InChI=1S/C11H12N2S/c1-2-4-10-9(3-1)13-11(14-10)7-12-8-5-6-8/h1-4,8,12H,5-7H2 |
| InChI Key | GCWLXPWZFXOBII-UHFFFAOYSA-N |
| MDL Number | MFCD12148549 |
| Molecular Formula | C11H12N2S |
| Molecular Weight | 204.2914 |
| SMILES | C(C1SC2=C(C=CC=C2)N=1)NC1CC1 |
| Synonyms | 1182986-24-8,
N-[(1,3-benzothiazol-2-yl)methyl]cyclopropanamine,
ZINC37977674,
AKOS009031730,
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanamine,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.291g/mol |
| Monoisotopic Mass | 204.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number