| CAS Number | 111196-17-9 |
| Catalog Number | AG00917F(AGN-PC-0P1PPD) |
| Chemical Name | H-Beta-Ala-pNA HBr |
| IUPAC Name | 3-amino-N-(4-nitrophenyl)propanamide;hydrobromide |
| InChI | InChI=1S/C9H11N3O3.BrH/c10-6-5-9(13)11-7-1-3-8(4-2-7)12(14)15;/h1-4H,5-6,10H2,(H,11,13);1H |
| InChI Key | WDFTXMCEXYTXHF-UHFFFAOYSA-N |
| MDL Number | MFCD08458595 |
| Molecular Formula | C9H12BrN3O3 |
| Molecular Weight | 290.1139 |
| SMILES | O=C(NC1=CC=C([N+]([O-])=O)C=C1)CCN.[H]Br |
| Synonyms | 111196-17-9,
H-BETA-ALA-PNA HBR,
3-AMINO-N-(4-NITROPHENYL)PROPANAMIDE HYDROBROMIDE,
H--Ala-pNA HBr,
H-beta-Ala-pNA . HBr,
C9H11N3O3.HBr,
7081AH,
MFCD08458595,
AKOS027250953,
AK186400,
K-0917,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.117g/mol |
| Monoisotopic Mass | 289.006g/mol |
| Rotatable Bond Count | 3 |
| 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