| CAS Number | 154407-91-7 |
| Catalog Number | AG01A60Q(AGN-PC-02PI8T) |
| Chemical Name | benzyl 5-aminopentanoate hydrochloride |
| IUPAC Name | benzyl 5-aminopentanoate;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c13-9-5-4-8-12(14)15-10-11-6-2-1-3-7-11;/h1-3,6-7H,4-5,8-10,13H2;1H |
| InChI Key | BXYROAZHUJRZPD-UHFFFAOYSA-N |
| MDL Number | MFCD25371665 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | C1=CC=C(C=C1)COC(=O)CCCCN.Cl |
| Synonyms | benzyl 5-aminopentanoate hydrochloride,
154407-91-7,
SCHEMBL8800459,
AKOS030638916,
MCULE-5444764805,
NE17167,
Z1649893037,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/mol |
| Rotatable Bond Count | 7 |
| 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