| CAS Number | 204503-79-7 |
| Catalog Number | AG01A33M(AGN-PC-0O7EJX) |
| Chemical Name | Ethyl 4-Amino-3-methylbutanoate Hydrochloride |
| IUPAC Name | ethyl 4-amino-3-methylbutanoate;hydrochloride |
| InChI | InChI=1S/C7H15NO2.ClH/c1-3-10-7(9)4-6(2)5-8;/h6H,3-5,8H2,1-2H3;1H |
| InChI Key | CGGZZAHNIGMEEU-UHFFFAOYSA-N |
| MDL Number | MFCD22628486 |
| Molecular Formula | C7H16ClNO2 |
| Molecular Weight | 181.6604 |
| SMILES | Cl.CCOC(CC(CN)C)=O |
| Synonyms | ethyl 4-amino-3-methylbutanoate hydrochloride,
204503-79-7,
AKOS026744191,
MCULE-8993122056,
NE59762,
Z1569708806,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.66g/mol |
| Monoisotopic Mass | 181.087g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number