CAS 127419-60-7 O-Ethyl-D-tyrosine (HCID 18596379)

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Basic information

CAS: 127419-60-7
Standard SMILES: CCOc1ccc(C[C@@H](N)C(=O)O)cc1
InChIKey: RMYPEYHEPIZYDJ-SNVBAGLBSA-N
Molecular formula: C11H15NO3
Average molar mass: 209.24 g/mol

Names & identifiers

Preferred name: O-Ethyl-D-tyrosine
IUPAC: (2R)-2-amino-3-(4-ethoxyphenyl)propanoic acid
English name: D-Tyrosine, O-ethyl- (9CI)
Molecular formula: C11H15NO3
Molecular weight: 209.24

Names & synonyms

o-ethyl-d-tyrosine127419-60-7D-Tyrosine, O-ethyl-IG65NW7N2O3-(p-Ethoxyphenyl)-D-alanineUNII-IG65NW7N2ORefChem:202380D-Tyrosine, O-ethyl- (9CI)(R)-2-amino-3-(4-ethoxyphenyl)propanoic acid(2R)-2-amino-3-(4-ethoxyphenyl)propanoic acidMFCD11858692DTyr(Et)

Show more names

2-amino-3-(2-bromo-4-methoxyphenyl)propanoic acid

D-Tyr(Et)(O-ethyl)-d-tyrosineSCHEMBL2036599RMYPEYHEPIZYDJ-SNVBAGLBSA-NAC8611AKOS017482243SY262561CS-0334595

Database identifiers

CAS: 127419-60-7
PubChem CID: 18596379
UNII: IG65NW7N2O

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 200

Physicochemical properties

Boiling point: 362.3 · 362.3±32.0 °C(Predicted)
Density: 1.175 · 1.175±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 2.24 · 2.24±0.10(Predicted)
FDA UNII: 65 NW7N2O · IG65NW7N2O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501