| CAS Number | 213271-08-0 |
| Catalog Number | AG00BJAF(AGN-PC-0WBO63) |
| Chemical Name | H-Nva-Pna Hbr |
| IUPAC Name | (2S)-2-amino-N-(4-nitrophenyl)pentanamide;hydrobromide |
| InChI | InChI=1S/C11H15N3O3.BrH/c1-2-3-10(12)11(15)13-8-4-6-9(7-5-8)14(16)17;/h4-7,10H,2-3,12H2,1H3,(H,13,15);1H/t10-;/m0./s1 |
| InChI Key | QDHUIHIRFDFVBT-PPHPATTJSA-N |
| MDL Number | MFCD00190975 |
| Molecular Formula | C11H16BrN3O3 |
| Molecular Weight | 318.1670 |
| SMILES | CCC[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])N.Br |
| Synonyms | H-NVA-PNA HBR,
213271-08-0,
L-Norlevaline-4-nitoranilide hydrobromide,
C11H15N3O3.HBr,
7210AH,
MFCD00190975,
K-6121,
J-013997,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.171g/mol |
| Monoisotopic Mass | 317.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number