| CAS Number | 1170178-46-7 |
| Catalog Number | AG019KKS |
| Chemical Name | 3-(tert-butylamino)propanoic acid hydrochloride |
| IUPAC Name | 3-(tert-butylamino)propanoic acid;hydrochloride |
| InChI | InChI=1S/C7H15NO2.ClH/c1-7(2,3)8-5-4-6(9)10;/h8H,4-5H2,1-3H3,(H,9,10);1H |
| InChI Key | VSSFPEXVAQWJQM-UHFFFAOYSA-N |
| MDL Number | MFCD09373415 |
| Molecular Formula | C7H16ClNO2 |
| Molecular Weight | 181.6604 |
| SMILES | Cl.CC(NCCC(O)=O)(C)C |
| Synonyms | 3-(tert-butylamino)propanoic acid hydrochloride,
51482-99-6,
1170178-46-7,
AC1Q38ZM,
SCHEMBL2653260,
CTK8F4754,
DTXSID50589653,
VSSFPEXVAQWJQM-UHFFFAOYSA-N,
t-butyl-beta-alaninate hydrochloride,
tert-butyl beta-alanine hydrochloride,
tert-butyl-beta-alanine hydrochloride,
AKOS027380172,
MCULE-1868797414,
NE17326,
EN300-27332,
N-tert-Butyl-beta-alanine--hydrogen chloride (1/1),
Z235348197,
|
| Complexity | 115 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.66g/mol |
| Monoisotopic Mass | 181.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number