| CAS Number | 95071-12-8 |
| Catalog Number | AG00IIPV(AGN-PC-0OO0ND) |
| Chemical Name | Bzl-d-ala-ome hcl |
| IUPAC Name | methyl (2R)-2-(benzylamino)propanoate;hydrochloride |
| InChI | InChI=1S/C11H15NO2.ClH/c1-9(11(13)14-2)12-8-10-6-4-3-5-7-10;/h3-7,9,12H,8H2,1-2H3;1H/t9-;/m1./s1 |
| InChI Key | FJUWPAKLUHULRE-SBSPUUFOSA-N |
| MDL Number | MFCD02684374 |
| Molecular Formula | C11H16ClNO2 |
| Molecular Weight | 229.7032 |
| SMILES | Cl.COC([C@H](NCC1=CC=CC=C1)C)=O |
| Synonyms | BZL-D-ALA-OME HCL,
95071-12-8,
CTK6I6473,
KM3325,
MFCD02684374,
Benzyl-D-alanine methyl ester hydrochloride,
EN300-204061,
BENZYL-D-ALANINE METHYLESTER HYDROCHLORIDE,
N-alpha-Benzyl-D-alanine methyl ester hydrochloride,
BZL-D-ALA-OMEHCL,
(S)-methyl 2-(benzylamino)propanoate hydrochloride,
(R)-Methyl 2-(benzylamino)propanoate hydrochloride,
Methyl (3R)-3-(Benzylamino)butanoate hydrochloride,
19460-85-6,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 5 |
| 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