| CAS Number | 218938-63-7 |
| Catalog Number | AG00C4N9(AGN-PC-0QYE9P) |
| Chemical Name | H-THR(TBU)-ALLYL ESTER HCL |
| IUPAC Name | prop-2-enyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride |
| InChI | InChI=1S/C11H21NO3.ClH/c1-6-7-14-10(13)9(12)8(2)15-11(3,4)5;/h6,8-9H,1,7,12H2,2-5H3;1H/t8-,9+;/m1./s1 |
| InChI Key | LEQICVPMIULGJK-RJUBDTSPSA-N |
| MDL Number | MFCD00798676 |
| Molecular Formula | C11H22ClNO3 |
| Molecular Weight | 251.7503 |
| SMILES | C=CCOC(=O)[C@H]([C@H](OC(C)(C)C)C)N.Cl |
| Synonyms | H-THR(TBU)-ALLYL ESTER HCL,
218938-63-7,
(2S,3R)-Allyl 2-amino-3-(tert-butoxy)butanoate hydrochloride,
C11H21NO3.HCl,
7244AH,
MFCD00798676,
K-6205,
L-Threonine,o-(1,1-dimethylethyl)-,2-propenyl ester,hydrochloride(9ci),
H-THR -ALLYLESTERHCL,
H-Thr(tBu)-allyl ester . HCl,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.751g/mol |
| Monoisotopic Mass | 251.129g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number