| CAS Number | 5515-00-4 |
| Catalog Number | AG019YRR(AGN-PC-0WOMYY) |
| Chemical Name | Benzyl 6-aminohexanoate hydrochloride |
| IUPAC Name | benzyl 6-aminohexanoate;hydrochloride |
| InChI | InChI=1S/C13H19NO2.ClH/c14-10-6-2-5-9-13(15)16-11-12-7-3-1-4-8-12;/h1,3-4,7-8H,2,5-6,9-11,14H2;1H |
| InChI Key | ASOOREZHFIOQKM-UHFFFAOYSA-N |
| MDL Number | MFCD22196509 |
| Molecular Formula | C13H19NO2 |
| Molecular Weight | 221.2955 |
| SMILES | O=C(CCCCCN)OCC1=CC=CC=C1 |
| Synonyms | benzyl 6-aminohexanoate hydrochloride,
5515-00-4,
SCHEMBL2421434,
ASOOREZHFIOQKM-UHFFFAOYSA-N,
AKOS016881623,
MCULE-3431266438,
NE32832,
A1-01111,
Z1362754526,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.758g/mol |
| Monoisotopic Mass | 257.118g/mol |
| Rotatable Bond Count | 8 |
| 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