| CAS Number | 51871-17-1 |
| Catalog Number | AG019PBY(AGN-PC-0SBMEL) |
| Chemical Name | propan-2-yl 3-aminopropanoate hydrochloride |
| IUPAC Name | propan-2-yl 3-aminopropanoate;hydrochloride |
| InChI | InChI=1S/C6H13NO2.ClH/c1-5(2)9-6(8)3-4-7;/h5H,3-4,7H2,1-2H3;1H |
| InChI Key | ZFJJVRUMTOXLAG-UHFFFAOYSA-N |
| MDL Number | MFCD08457600 |
| Molecular Formula | C6H14ClNO2 |
| Molecular Weight | 167.6339 |
| SMILES | Cl.CC(OC(CCN)=O)C |
| Synonyms | isopropyl 3-aminopropanoate hydrochloride,
propan-2-yl 3-aminopropanoate hydrochloride,
39825-36-0,
51871-17-1,
SCHEMBL593628,
CTK8G0394,
DTXSID70655349,
ZFJJVRUMTOXLAG-UHFFFAOYSA-N,
AC1Q3954,
MFCD08457600,
AKOS026727616,
MCULE-4846624681,
NE51252,
Beta Alanine Isopropyl Ester Hydrochloride,
propan-2-yl 3-aminopropanoate;hydrochloride,
EN300-23155,
Propan-2-yl beta-alaninate--hydrogen chloride (1/1),
Z271138096,
|
| Complexity | 91.1 |
| 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 | 4 |
| 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