| CAS Number | 1955530-22-9 |
| Catalog Number | AG01B2RI |
| Chemical Name | {5H,6H,7H-cyclopenta[b]pyridin-7-yl}methanamine dihydrochloride |
| IUPAC Name | 6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylmethanamine;dihydrochloride |
| InChI | InChI=1S/C9H12N2.2ClH/c10-6-8-4-3-7-2-1-5-11-9(7)8;;/h1-2,5,8H,3-4,6,10H2;2*1H |
| InChI Key | NYEYZTSONPSJDK-UHFFFAOYSA-N |
| MDL Number | MFCD29991713 |
| Molecular Formula | C9H14Cl2N2 |
| Molecular Weight | 221.1269 |
| SMILES | Cl.Cl.NCC1C2=C(C=CC=N2)CC1 |
| Synonyms | 1955530-22-9,
{5H,6H,7H-cyclopenta[b]pyridin-7-yl}methanamine dihydrochloride,
(6,7-Dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine dihydrochloride,
Z2507870679,
5H,6H,7H-cyclopenta[b]pyridin-7-ylmethanamine dihydrochloride,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.125g/mol |
| Monoisotopic Mass | 220.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number