| CAS Number | 1423029-31-5 |
| Catalog Number | AG01A2DA |
| Chemical Name | Benzyl 3-aminobutanoate hydrochloride |
| IUPAC Name | benzyl 3-aminobutanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3;1H |
| InChI Key | FFGHYYGPFHLTRD-UHFFFAOYSA-N |
| MDL Number | MFCD22578530 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.CC(CC(OCC1=CC=CC=C1)=O)N |
| Synonyms | benzyl 3-aminobutanoate hydrochloride,
1423029-31-5,
3-Aminobutanoic acid benzyl ester hydrochloride,
NE38209,
3-aminobutanoic acid benzyl ester hcl,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.704g/mol |
| Monoisotopic Mass | 229.087g/mol |
| Rotatable Bond Count | 5 |
| 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