| CAS Number | 170454-20-3 |
| Catalog Number | AG0078RC(AGN-PC-0O4TIN) |
| Chemical Name | 3-NItro-Valine |
| IUPAC Name | 2-amino-3-methyl-3-nitrobutanoic acid |
| InChI | InChI=1S/C5H10N2O4/c1-5(2,7(10)11)3(6)4(8)9/h3H,6H2,1-2H3,(H,8,9) |
| InChI Key | SVQLBNMIYIBLOU-UHFFFAOYSA-N |
| MDL Number | MFCD24394876 |
| Molecular Formula | C5H10N2O4 |
| Molecular Weight | 162.1439 |
| SMILES | CC(C)([C@H](N)C(O)=O)[N+]([O-])=O |
| Synonyms | 3-Nitro-valine,
170454-20-3,
SCHEMBL3019354,
CTK8H2234,
SVQLBNMIYIBLOU-UHFFFAOYSA-N,
MFCD24394876,
2-amino-3-methyl-3-nitrobutanoic acid,
2-Amino-3-nitro-3-methylbutanoic acid,
CS-0037199,
Valine, 3-nitro- (9CI),
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.145g/mol |
| Monoisotopic Mass | 162.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number