| CAS Number | 1534-90-3 |
| Catalog Number | AG0039BS(AGN-PC-0WALMB) |
| Chemical Name | H-P-Fluoro-Phe-OEt HCl |
| IUPAC Name | ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H14FNO2.ClH/c1-2-15-11(14)10(13)7-8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H/t10-;/m0./s1 |
| InChI Key | KMTPBETYAVWMHD-PPHPATTJSA-N |
| MDL Number | MFCD02259530 |
| Molecular Formula | C11H15ClFNO2 |
| Molecular Weight | 247.6937 |
| SMILES | Cl.C(C)OC([C@@H](N)CC1=CC=C(C=C1)F)=O |
| Synonyms | 1534-90-3,
H-P-Fluoro-phe-oet HCl,
(S)-Ethyl 2-amino-3-(4-fluorophenyl)propanoate hydrochloride,
C11H15ClFNO2,
4-fluoro-l-phenylalanine ethyl ester hydrochloride,
H-p-Fluoro-Phe-OEt . HCl,
KMTPBETYAVWMHD-PPHPATTJSA-N,
L-4-Fluorophenylalanine ethyl ester hydrochloride,
(R)-Ethyl 2-amino-3-(4-fluorophenyl)propanoate hydrochloride,
SCHEMBL1064640,
H-L-PHE(4-F)-OET HCL,
KS-00000T9D,
MFCD02259530,
AKOS015909545,
DS-10079,
V3492,
K-4854,
4-fluoro phenylalanine ethyl ester hydrochloride,
I14-32623,
4-Fluoro-L-Phenylalanine Ethyl Ester Hydrochloride (1:1),
ACN-036752,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.694g/mol |
| Monoisotopic Mass | 247.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number