| CAS Number | 1416444-76-2 |
| Catalog Number | AG01DLQH |
| Chemical Name | (S)-Methyl 3-amino-3-(3-nitrophenyl)propanoate hydrochloride |
| IUPAC Name | methyl (3S)-3-amino-3-(3-nitrophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C10H12N2O4.ClH/c1-16-10(13)6-9(11)7-3-2-4-8(5-7)12(14)15;/h2-5,9H,6,11H2,1H3;1H/t9-;/m0./s1 |
| InChI Key | SVLJTTUPYWQRIK-FVGYRXGTSA-N |
| MDL Number | MFCD22690199 |
| Molecular Formula | C10H13ClN2O4 |
| Molecular Weight | 260.6742 |
| SMILES | Cl.COC(=O)C[C@H](N)C1=CC=CC(=C1)[N+]([O-])=O |
| Synonyms | (S)-METHYL 3-AMINO-3-(3-NITROPHENYL)PROPANOATE HCL,
1416444-76-2,
MFCD22690199,
AKOS027330542,
AS-38938,
(S)-Methyl 3-amino-3-(3-nitrophenyl)propanoate hydrochloride,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.674g/mol |
| Monoisotopic Mass | 260.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number