| CAS Number | 367517-26-8 |
| Catalog Number | AG00C7ZO(AGN-PC-0WAI4V) |
| Chemical Name | h-d-tyr(all)-ome hcl |
| IUPAC Name | methyl (2R)-2-amino-3-(4-prop-2-enoxyphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C13H17NO3.ClH/c1-3-8-17-11-6-4-10(5-7-11)9-12(14)13(15)16-2;/h3-7,12H,1,8-9,14H2,2H3;1H/t12-;/m1./s1 |
| InChI Key | RNTKDRSTELCRPC-UTONKHPSSA-N |
| MDL Number | MFCD04973250 |
| Molecular Formula | C13H18ClNO3 |
| Molecular Weight | 271.7399 |
| SMILES | Cl.COC(=O)[C@H](N)CC1=CC=C(OCC=C)C=C1 |
| Synonyms | H-D-TYR(ALL)-OME HCL,
367517-26-8,
O-ALLYL-D-TYROSINE METHYL-ESTER HYDROCHLORIDE,
CTK6I6209,
7125AH,
MFCD04973250,
ACM367517268,
AS-36784,
K-8182,
C13H17NO3.HCl,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.741g/mol |
| Monoisotopic Mass | 271.098g/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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number