| CAS Number | 63699-78-5 |
| Catalog Number | AG00EBF1(AGN-PC-0T9JJ8) |
| Chemical Name | L-Glutamic Acid Gamma-(3-Carboxy-4-Nitroanilide) Ammonium Salt |
| EC Number | 264-418-7 |
| IUPAC Name | azanium;5-[[(4S)-4-amino-4-carboxybutanoyl]amino]-2-nitrobenzoate |
| InChI | InChI=1S/C12H13N3O7.H3N/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18;/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20);1H3/t8-;/m0./s1 |
| InChI Key | GFABNNMTRVBLPZ-QRPNPIFTSA-N |
| MDL Number | MFCD00058243 |
| Molecular Formula | C12H16N4O7 |
| Molecular Weight | 328.2780 |
| SMILES | O=C([O-])C1=CC(NC(CC[C@H](N)C(O)=O)=O)=CC=C1[N+]([O-])=O.[NH4+] |
| Synonyms | Ammonium (S)-5-(4-amino-4-carboxybutanamido)-2-nitrobenzoate,
63699-78-5,
CTK8C0976,
ANW-65601,
TC-154346,
FT-0701174,
C12H13N3O7.H3N,
EINECS 264-418-7,
C12-H13-N3-O7.H3-N,
Ammonium (S)-5-((4-amino-4-carboxy-1-oxobutyl)amino)-2-nitrobenzoate,
Ammonium (S)-5-[(4-amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoate,
L-Glutamic acid gamma-(3-carboxy-4-nitroanilide) ammonium salt, 98% - 1G 1g,
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| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.281g/mol |
| Monoisotopic Mass | 328.102g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 179A^2 |
| Undefined Atom Stereocenter Count | 0 |
| 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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H317-H319
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number