| CAS Number | 1219839-34-5 |
| Catalog Number | AG01BEVH |
| Chemical Name | Methyl 3-amino-4-methylpentanoate hydrochloride |
| IUPAC Name | methyl 3-amino-4-methylpentanoate;hydrochloride |
| InChI | InChI=1S/C7H15NO2.ClH/c1-5(2)6(8)4-7(9)10-3;/h5-6H,4,8H2,1-3H3;1H |
| InChI Key | PPXNDBYZDBBPCL-UHFFFAOYSA-N |
| MDL Number | MFCD22380685 |
| Molecular Formula | C7H16ClNO2 |
| Molecular Weight | 181.6604 |
| SMILES | Cl.COC(CC(C(C)C)N)=O |
| Synonyms | Methyl 3-amino-4-methylpentanoate hydrochloride,
1219839-34-5,
TMBA012,
SCHEMBL9936423,
MFCD22380685,
C7H15NO2.HCl,
(R)-methyl 3-amino-4-methylpentanoate hydrochloride,
(S)-Methyl 3-amino-4-methylpentanoate hydrochloride,
172823-13-1,
679789-35-6,
|
| Complexity | 112 |
| 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 | 4 |
| 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