| CAS Number | 1181458-60-5 |
| Catalog Number | AG019VFX(AGN-PC-0WOW5O) |
| Chemical Name | 3-[(2-Methylpropyl)amino]propanoic acid hydrochloride |
| IUPAC Name | 3-(2-methylpropylamino)propanoic acid;hydrochloride |
| InChI | InChI=1S/C7H15NO2.ClH/c1-6(2)5-8-4-3-7(9)10;/h6,8H,3-5H2,1-2H3,(H,9,10);1H |
| InChI Key | YUPVFCIEBDCSIY-UHFFFAOYSA-N |
| MDL Number | MFCD12197154 |
| Molecular Formula | C7H16ClNO2 |
| Molecular Weight | 181.6604 |
| SMILES | Cl.CC(CNCCC(O)=O)C |
| Synonyms | 3-[(2-methylpropyl)amino]propanoic acid hydrochloride,
1181458-60-5,
CTK6A8713,
AKOS008022910,
MCULE-7021054047,
NE15485,
EN300-45139,
AC1Q392X,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.086957g/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 | 181.086957g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number