| CAS Number | 78287-52-2 |
| Catalog Number | AG00549V(AGN-PC-0203JW) |
| Chemical Name | 4-Aminobenzyl butyrate hydrochloride |
| IUPAC Name | benzyl 4-aminobutanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c12-8-4-7-11(13)14-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9,12H2;1H |
| InChI Key | RMWDQEXMBCJNFO-UHFFFAOYSA-N |
| MDL Number | MFCD30568899 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | NCCCC(=O)OCc1ccccc1.Cl |
| Synonyms | 78287-52-2,
BENZYL 4-AMINOBUTANOATE HYDROCHLORIDE,
Butanoic acid, 4-amino-, phenylmethyl ester, hydrochloride,
SCHEMBL5969292,
CTK2F9896,
DTXSID30595752,
RMWDQEXMBCJNFO-UHFFFAOYSA-N,
4-aminobutanoic acid benzyl ester hydrochloride,
Benzyl 4-aminobutanoate--hydrogen chloride (1/1),
benzyl 4-aminobutanoate,hydrochloride,
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| Complexity | 165 |
| 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 | 6 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number