| CAS Number | 69950-44-3 |
| Catalog Number | AG01AF7M(AGN-PC-02C8F7) |
| Chemical Name | Methyl 3-amino-3-methylbutanoate hydrochloride |
| IUPAC Name | methyl 3-amino-3-methylbutanoate;hydrochloride |
| InChI | InChI=1S/C6H13NO2.ClH/c1-6(2,7)4-5(8)9-3;/h4,7H2,1-3H3;1H |
| InChI Key | HUJBVSPHSJJTGK-UHFFFAOYSA-N |
| MDL Number | MFCD27920198 |
| Molecular Formula | C6H14ClNO2 |
| Molecular Weight | 167.6339 |
| SMILES | Cl.COC(CC(N)(C)C)=O |
| Synonyms | methyl 3-amino-3-methylbutanoate hydrochloride,
69950-44-3,
SCHEMBL74284,
HUJBVSPHSJJTGK-UHFFFAOYSA-N,
AKOS026743764,
NE32250,
methyl 3-amino-3-methyl-butyrate hydrochloride,
methyl 3-amino-3-methyl-butanoate hydrochloride salt,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.633g/mol |
| Monoisotopic Mass | 167.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number