| CAS Number | 201731-77-3 |
| Catalog Number | AG0027T1(AGN-PC-0KLCCU) |
| Chemical Name | H-D-Ala-pna hcl |
| IUPAC Name | (2R)-2-amino-N-(4-nitrophenyl)propanamide;hydrochloride |
| InChI | InChI=1S/C9H11N3O3.ClH/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15;/h2-6H,10H2,1H3,(H,11,13);1H/t6-;/m1./s1 |
| InChI Key | YEXRLSXNWLNHQR-FYZOBXCZSA-N |
| MDL Number | MFCD00080854 |
| Molecular Formula | C9H12ClN3O3 |
| Molecular Weight | 245.6629 |
| SMILES | Cl.C[C@@H](N)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O |
| Synonyms | H-D-ALA-PNA HCL,
201731-77-3,
MFCD00080854,
H-Ala-pNA-HCl,
H-D-Ala-pNA . HCl,
C9H11N3O3.ClH,
D-Alanine 4-nitroanilide HCl,
AS-48952,
X5757,
K-5907,
H-D-ALA-PNA.HCL,
D-Alanine 4-nitroanilide hydrochloride,
31796-55-1,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.663g/mol |
| Monoisotopic Mass | 245.057g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number