| CAS Number | 92767-16-3 |
| Catalog Number | AG01DWV3 |
| Chemical Name | 2-amino-4-(pyridin-4-yl)butanoic acid dihydrochloride |
| IUPAC Name | 2-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride |
| InChI | InChI=1S/C9H12N2O2.2ClH/c10-8(9(12)13)2-1-7-3-5-11-6-4-7;;/h3-6,8H,1-2,10H2,(H,12,13);2*1H |
| InChI Key | ZNXKOPYHRDRIME-UHFFFAOYSA-N |
| MDL Number | MFCD28016974 |
| Molecular Formula | C9H14Cl2N2O2 |
| Molecular Weight | 253.1257 |
| SMILES | Cl.Cl.NC(C(O)=O)CCC1=CC=NC=C1 |
| Synonyms | 2-amino-4-(pyridin-4-yl)butanoic acid dihydrochloride,
92767-16-3,
2-amino-4-pyridin-4-ylbutanoic acid dihydrochloride,
AKOS026746252,
F2147-1320,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.123g/mol |
| Monoisotopic Mass | 252.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number