| CAS Number | 1122017-35-9 |
| Catalog Number | AG008RB2(AGN-PC-0WBO5N) |
| Chemical Name | Bzl-Nle-Ome HCl |
| IUPAC Name | methyl (2S)-2-(benzylamino)hexanoate;hydrochloride |
| InChI | InChI=1S/C14H21NO2.ClH/c1-3-4-10-13(14(16)17-2)15-11-12-8-6-5-7-9-12;/h5-9,13,15H,3-4,10-11H2,1-2H3;1H/t13-;/m0./s1 |
| InChI Key | LGMPSIGGKFVSDE-ZOWNYOTGSA-N |
| MDL Number | MFCD03093493 |
| Molecular Formula | C14H22ClNO2 |
| Molecular Weight | 271.7830 |
| SMILES | CCCC[C@@H](C(=O)OC)NCc1ccccc1.Cl |
| Synonyms | BZL-NLE-OME HCL,
1122017-35-9,
Bzl-nle-OMe hydrochloride,
SCHEMBL1880587,
LGMPSIGGKFVSDE-ZOWNYOTGSA-N,
6493AH,
MFCD03093493,
N-benzyl-L-norleucine methyl ester HCl salt,
K-0945,
C14H21NO2.HCl,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.785g/mol |
| Monoisotopic Mass | 271.134g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number