| CAS Number | 102029-99-2 |
| Catalog Number | AG00915X(AGN-PC-0OR4VI) |
| Chemical Name | bzl-his-ome 2hcl |
| IUPAC Name | methyl (2S)-2-(benzylamino)-3-(1H-imidazol-5-yl)propanoate;dihydrochloride |
| InChI | InChI=1S/C14H17N3O2.2ClH/c1-19-14(18)13(7-12-9-15-10-17-12)16-8-11-5-3-2-4-6-11;;/h2-6,9-10,13,16H,7-8H2,1H3,(H,15,17);2*1H/t13-;;/m0../s1 |
| InChI Key | CSACUQIXYWWVRO-GXKRWWSZSA-N |
| MDL Number | MFCD00167636 |
| Molecular Formula | C14H19Cl2N3O2 |
| Molecular Weight | 332.2256 |
| SMILES | Cl.Cl.COC(=O)[C@H](CC1=CNC=N1)NCC1=CC=CC=C1 |
| Synonyms | BZL-HIS-OME 2HCL,
102029-99-2,
Bzl-His-OMe 2 HCl,
Bzl-His-OMe . 2 HCl,
C14H17N3O2.2HCl,
SCHEMBL6506712,
6490AH,
MFCD00167636,
AKOS027251059,
AS-49179,
K-0276,
NA-BENZYL-L-HISTIDINE METHYL ESTERDIHYDR OCHLORIDE,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.225g/mol |
| Monoisotopic Mass | 331.085g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number