ChemicalBook--->CAS DataBase List--->36546-50-6

36546-50-6

36546-50-6 Structure

36546-50-6 Structure
IdentificationMore
[Name]

Ethyl N-acetyl-L-tyrosinate hydrate
[CAS]

36546-50-6
[Synonyms]

ACETYL-L-TYROSINE ETHYL ESTER HYDRATE
ACETYL-L-TYROSINE ETHYL ESTER MONOHYDRATE
ACETYL-L-TYROSINE-ETHYL ESTER, N-, HYDRATE
AC-TYR-OET H2O
ATEE
ATEE MONOHYDRATE
N-ACETYL-L-TYROSINE ETHYL ESTER MONOHYDRATE
N-ACETYL TYROSINE ETHYL ESTER HYDRATE
N-ACETYLTYROSINE ETHYL ESTER MONOHYDRATE
N-Acetyl-L-Tyr-OEt
N-ACETYL-L-TYROSINE ETHYL ESTERSIGMA GRA DE
N-ACETYLTYROSINE ETHYL ESTER 1-HYDRATE
N-ACETYL-L-TYROSINE ETHYL ESTER 1-HYDRATE
L-Tyrosine, N-acetyl-, ethyl ester, monohydrate
N-ACETYL-L-TYROSINE ETHYL ESTER:ATEE
Ethyl N-acetyl-L-tyrosinate hydrate
[EINECS(EC#)]

212-663-5
[Molecular Formula]

C13H19NO5
[MDL Number]

MFCD00149093
[Molecular Weight]

269.29
[MOL File]

36546-50-6.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

80-81 °C(lit.)
[storage temp. ]

2-8°C
[solubility ]

soluble in Methanol
[form ]

Crystalline Powder
[color ]

White
[Optical Rotation]

Consistent with structure
[Sensitive ]

Hygroscopic
[BRN ]

2217900
[InChI]

1S/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m0/s1
[InChIKey]

YIVZYFDBEPMPNL-LBPRGKRZSA-N
[SMILES]

CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O
[CAS DataBase Reference]

36546-50-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[F ]

10-21
[TSCA ]

Yes
[HS Code ]

29242990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

N-Acetyl-L-tyrosine ethyl ester monohydrate has been used:
  • as a substrate in transesterification reactions with 1 M propan-1-ol catalyzed by Carlsberg protease protein-coated microcrystals?(PCMC)
  • to test the performance of subtilisin Carlsberg protein-coated microcrystals (PCMC)
  • as a substrate for cross-linked crystals (CLECs) of subtilisin activity screening

[Definition]

ChEBI: ATEE is a tyrosine derivative.
[Biochem/physiol Actions]

N-Acetyl-L-tyrosine ethyl ester is an N-terminal and C-terminal protected L-tyrosine that is used in crosslinking studies and as a substrate for the detection, differentiation and/or characterization various proteases and esterases.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl N-acetyl-L-tyrosinate hydrate(36546-50-6)1HNMR
Ethyl N-acetyl-L-tyrosinate hydrate(36546-50-6)IR
Ethyl N-acetyl-L-tyrosinate hydrate(36546-50-6)FT-IR
Ethyl N-acetyl-L-tyrosinate hydrate(36546-50-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Acetyl-L-tyrosine ethyl ester monohydrate, 99%(36546-50-6)
[Alfa Aesar]

N-Acetyl-L-tyrosine ethyl ester monohydrate, 99%(36546-50-6)
[Sigma Aldrich]

36546-50-6(sigmaaldrich)
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