| CAS Number | 1818847-61-8 |
| Catalog Number | AG002372(AGN-PC-0WNGTE) |
| Chemical Name | 4-(Aminomethyl)-1H-pyrrolo[2,3-b]pyridin-2(3H)-one dihydrochloride |
| IUPAC Name | 4-(aminomethyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;dihydrochloride |
| InChI | InChI=1S/C8H9N3O.2ClH/c9-4-5-1-2-10-8-6(5)3-7(12)11-8;;/h1-2H,3-4,9H2,(H,10,11,12);2*1H |
| InChI Key | GECPSTYRWJWWHA-UHFFFAOYSA-N |
| MDL Number | MFCD29060190 |
| Molecular Formula | C8H11Cl2N3O |
| Molecular Weight | 236.0984 |
| SMILES | Cl.Cl.NCc1ccnc2c1CC(=O)N2 |
| Synonyms | 1818847-61-8,
4-(Aminomethyl)-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one dihydrochloride,
4-(Aminomethyl)-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one 2HCl,
4-(Aminomethyl)-1H-pyrrolo[2,3-b]pyridin-2(3H)-one dihydrochloride,
KS-000005SG,
MFCD29060190,
AKOS027337246,
SB14251,
AS-52594,
CS-0051191,
935466-94-7,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.096g/mol |
| Monoisotopic Mass | 235.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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