| CAS Number | 132210-25-4 |
| Catalog Number | AG0010EJ(AGN-PC-0JF3SK) |
| Chemical Name | 2-Amino-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid dihydrochloride |
| IUPAC Name | 2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic acid;dihydrochloride |
| InChI | InChI=1S/C12H12N2O3.2ClH/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10;;/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17);2*1H |
| InChI Key | KQVSXYDHVMTBAL-UHFFFAOYSA-N |
| MDL Number | MFCD09033175 |
| Molecular Formula | C12H14Cl2N2O3 |
| Molecular Weight | 305.1572 |
| SMILES | Cl[H].Cl[H].NC(CC1=CC(=O)NC2=C1C=CC=C2)C(O)=O |
| Synonyms | 132210-25-4,
2-Amino-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid dihydrochloride,
AK-26807,
C12H14Cl2N2O3,
DTXSID30855646,
KS-00000PZ1,
5943AA,
MFCD19440796,
AKOS016000983,
DS-10895,
AX8229358,
3-(2-Oxo-1,2-dihydroquinolin-4-yl)alanine--hydrogen chloride (1/2),
KQVSXYDHVMTBAL-UHFFFAOYSA-N,
2-Amino-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoicaciddihydrochloride,
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| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.155g/mol |
| Monoisotopic Mass | 304.038g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number