| CAS Number | 860362-70-5 |
| Catalog Number | AG01DOQ9(AGN-PC-0WD2KH) |
| Chemical Name | 1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, hydrochloride (1:2) |
| IUPAC Name | 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C9H11N3.2ClH/c10-4-3-7-6-12-9-8(7)2-1-5-11-9;;/h1-2,5-6H,3-4,10H2,(H,11,12);2*1H |
| InChI Key | LITXWXSLPLJYED-UHFFFAOYSA-N |
| MDL Number | MFCD26383625 |
| Molecular Formula | C9H12ClN3 |
| Molecular Weight | 197.6647 |
| SMILES | C(CN)c1c2c([nH]c1)nccc2.Cl |
| Synonyms | 860362-70-5,
2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethanamine dihydrochloride,
2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethanamine 2HCl,
DTXSID50856453,
3426AC,
MFCD26383625,
AKOS016842685,
AX8256477,
2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethan-1-amine--hydrogen chloride (1/2),
C9H13Cl2N3,
2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethanaminedihydrochloride,
1265203-38-0,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.124g/mol |
| Monoisotopic Mass | 233.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^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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