L-Tyrosine ethyl ester hydrochloride - CAS 4089-07-0
Catalog: |
BB053445 |
Product Name: |
L-Tyrosine ethyl ester hydrochloride |
CAS: |
4089-07-0 |
Synonyms: |
H-Tyr-OEt.HCl; Ethyl L-tyrosinate hydrochloride; (S)-ethyl 2-amino-3-(4-hydroxyphenyl)propanoate hydrochloride |
Related CAS: | 34081-17-9 (free acid)
|
IUPAC Name: | ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride |
Molecular Weight: | 245.70 |
Molecular Formula: | C11H16ClNO3 |
Canonical SMILES: | CCOC(=O)C(CC1=CC=C(C=C1)O)N.Cl |
InChI: | InChI=1S/C11H15NO3.ClH/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;/h3-6,10,13H,2,7,12H2,1H3;1H/t10-;/m0./s1 |
InChI Key: | BQULAXAVRFIAHN-PPHPATTJSA-N |
Boiling Point: | 343.3±27.0 °C at 760 mmHg |
Melting Point: | 166-170°C |
Purity: | ≥ 99.5% (HPLC, Chiral purity) |
Density: | 1.2±0.1 g/cm3 |
Appearance: | White to off-white powder |
Storage: | Store at 2-8 °C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.0818711 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.0818711 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 72.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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