N-Acetyl-DL-tyrosine

HCID 89216CAS 2901-77-1

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Basic information

Standard SMILES: CC(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChIKey: CAHKINHBCWCHCF-UHFFFAOYSA-N
Molecular formula: C11H13NO4
Average molar mass: 223.22 g/mol
Monoisotopic mass: 223.0844579

Overview

N-acetyltyrosine is an N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group. It has a role as a human urinary metabolite. It is a N-acetyl-amino acid, a member of phenols and a tyrosine derivative. It is functionally related to a tyrosine.

Names & identifiers

Preferred name: N-Acetyl-DL-tyrosine
IUPAC: 2-acetamido-3-(4-hydroxyphenyl)propanoic acid
English name: N-Acetyl-DL-tyrosine
Molecular formula: C11H13NO4
Molecular weight: 223.23

Names & synonyms

N-acetyl-DL-tyrosine2901-77-1RefChem:828875684-215-0Ac-Tyr-OHacetyltyrosineN-Acetyl-4-hydroxyphenylalanineMFCD00063038Acetyl-D-tyrosine2-Acetylamino-3-(4-hydroxy-phenyl)-propionic acidACETYL-L-TYROSINEOprea1_187931

Show more names

Ac-D,L-Tyr-OHTyrosine, N-acetyl-N-α-Acetyl-DL-TyrosineN-alpha-acetyl-tyrosineN-Acetyl-DL-tyrosine, ≥98%rac-(R*)-N-Acetyl-2-(4-hydroxybenzyl)glycine2-Acetamido-3-(4-hydroxyphenyl)propanoic acidrac-(R*)-α-(Acetylamino)-4-hydroxybenzenepropionic acidrac-(R*)-2-(Acetylamino)-3-(4-hydroxyphenyl)propionic acid

MLS004754479SCHEMBL313539N-acetyltyrosine, (dl)-isomerCHEMBL1972224DTXSID90859468HMS5085E16N-Acetyl-4-hydroxyphenylalanine #CAA90177

Database identifiers

CAS: 2901-77-1、537-55-3
PubChem CID: 89216
DTXSID: DTXSID90859468
ChEMBL: CHEMBL1972224
ChEBI: CHEBI:68561
EC Number: 684-215-0
Nikkaji: J1.031.113F

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 86.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 259

Physicochemical properties

Melting point: 90 °C · 90 °C
Boiling point: 531.3 · 531.3±45.0 °C(Predicted)
Density: 1.304 · 1.304±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.15 · 3.15±0.10(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501

Chemistry & industry

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]

Additional notes · 1 item

DefinitionChEBI: N-acetyltyrosine is an N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group. It has a role as a human urinary metabolite. It is a tyrosine derivative, a N-acetyl-amino acid and a member of phenols. It is functionally related to a tyrosine.