Basic information
- CAS
949-67-7- Standard SMILES
CCOC(=O)[C@@H](N)Cc1ccc(O)cc1- InChIKey
SBBWEQLNKVHYCX-JTQLQIEISA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Overview
Ethyl L-tyrosinate is an L-tyrosyl ester that is L-tyrosine in which the hydrogen of the carboxy group has been replaced by an ethyl group. It is a L-tyrosyl ester and an ethyl ester.
Names & identifiers
- Preferred name
- L-Tyrosine ethyl ester
- IUPAC
- ethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
- English name
- Ethyl L-tyrosinate
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
L-Tyrosine ethyl esterEthyl L-tyrosinate949-67-7L-Tyrosine, ethyl esterEthyl tyrosine esterethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate17RPW76A9GCHEBI:9798DTXSID20883574NSC-519993RefChem:596434DTXCID001023091
Show more names
ethyl tyrosinateL-Tyr-OEtHCTYROSINE-OETL-Tyr-Oet-OHL-Tyrosine ethyl
213-442-6ethyl tyrosineTyrosine ethyl esterH-Tyr-OEtTyr-OEtMFCD00063046L-TYROSINE ETHYLESTERL-Tyr-OEt
Database identifiers
- CAS
949-67-7- PubChem CID
- 70364
- DTXSID
DTXSID20883574- ChEMBL
CHEMBL292389- ChEBI
CHEBI:9798- UNII
- 17RPW76A9G
- EC Number
- 213-442-6
- Nikkaji
- J62.052A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 200
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 103 °C · 103 °C
- Boiling point
- 343.3 · 343.3 ± 27.0 °C at 760 mmHg
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- refractive index
- 17.5 ° · 17.5 ° (C=5, EtOH)
- storage temp.
- 20 °C · −20°C
- solubility
- almost transparency in Methanol
- form
- Solid
- pka
- 7.05 · pKa 7.05±0.02(H2O t=25.0±0.1 I=0.1(NaCl) N2atmosphere) (Uncertain);9.71±0.02(H2O t=25.0±0.1 I=0.1(NaCl) N2atmosphere) (Uncertain)
- color
- White to Light yellow
- InChI
- InChI=1S/C11H15NO3/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8/h3-6,10,13H,2,7,12H2,1H3/t10-/m0/s1
- InChIKey
- SBBWEQLNKVHYCX-JTQLQIEISA-N
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29225090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- safety_code
- 24/25
- Hazard statements
- H302-H314-H410
- Precautionary statements
- P264-P270-P301+P312-P280-P330-P501-P303+P361+P353-P304+P340-P310-P305+P351+P338-P273-P391
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationL-Tyrosine, ethyl ester: INACTIVE
Applications
UsesL-TYROSINE ETHYL ESTER is a useful research chemical.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers102 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
上海阿拉丁生化科技股份有限公司
Related reactions
20 records
Compound notes
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