2-amino-3-(4-hydroxyphenyl)propanoic acid

• ChemBase ID: 102823
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: NC(Cc1ccc(O)cc1)C(=O)O
• Canonical SMILES: OC(=O)C(Cc1ccc(cc1)O)N
• InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
• InChIKey: OUYCCCASQSFEME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-(4-hydroxyphenyl)propanoic acid
• IUPAC Traditional name: tyrosin
• Synonyms: 2-Amino-3-(4-hydroxyphenyl)propanoic acid; L-Tyrosine-[ring-3,5-3H]; (±)-2-Amino-3-(4-hydroxyphenyl)propionic acid; DL-Tyrosine; H-DL-Tyr-OH; beta-(p-Hydroxyphenyl)alanine; DL-2-Amino-3-(4-hydroxyphenyl)propionic acid; 3-(4-Hydroxyphenyl)-DL-alanine; DL-TYROSINE; (±)-2-氨基-3-(4-羟基苯基)丙酸; 3-(4-羟基苯基)-DL-丙氨酸; DL-酪氨酸

Database IDs

• CAS Number: 556-03-6; 7234-03-9
• EC Number: 209-113-1
• MDL Number: MFCDN/AN/AN/A63N/A74; MFCD00135819; MFCD00063074
• Beilstein Number: 515881
• Merck Index: 149839
• PubChem SID: 24848742; 24889934; 24900052; 162088292
• PubChem CID: 1153

CALCULATED PROPERTIES

• Acid pKa: 1.9998473
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.4884841
• LogD (pH = 7.4): -1.495157
• Log P: -1.488594
• Molar Refractivity: 47.0972 cm^3
• Polarizability: 18.512522 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ≥300 °C(lit.); 316°C (dec.); ca 325°C dec.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Irritant (Xi)
• UN Number: 2910
• German water hazard class: -; 3
• Hazard Class: 7
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (TLC); ≥99.0% (NT); 98%; 99%
• Grade: puriss.
• Extent of Labeling: 40-60 Ci/mmol
• Linear Formula: 4-(HO)C6H4CH2CH(NH2)COOH

DETAILS

MP Biomedicals - 02103176

Purity: 99%
Crystalline

MP Biomedicals - 05219592

MP Biomedicals Rare Chemical collection

Sigma Aldrich - T3533

包装
serum bottle

Sigma Aldrich - T3379

Biochem/physiol Actions
Amino acid precursor of dopamine and other catecholamines

Sigma Aldrich - 145726

Packaging
25, 100 g in poly bottle