| CAS Number | 2094634-89-4 |
| Catalog Number | AG01E84K |
| Chemical Name | 2-{5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl}ethan-1-amine dihydrochloride |
| IUPAC Name | 2-(5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C10H13N3.2ClH/c1-7-2-3-9-10(13-7)8(4-5-11)6-12-9;;/h2-3,6,12H,4-5,11H2,1H3;2*1H |
| InChI Key | DLQRANORIYYSJR-UHFFFAOYSA-N |
| MDL Number | MFCD30734153 |
| Molecular Formula | C10H15Cl2N3 |
| Molecular Weight | 248.1522 |
| SMILES | Cl.Cl.CC1=NC2=C(NC=C2CCN)C=C1 |
| Synonyms | 2-{5-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl}ethan-1-amine dihydrochloride,
Z2805897472,
2094634-89-4,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.151g/mol |
| Monoisotopic Mass | 247.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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