2-[(4-hydroxyphenyl)amino]acetic acid

• ChemBase ID: 127589
• Molecular Formular: C8H9NO3
• Molecular Mass: 167.16196
• Monoisotopic Mass: 167.05824315
• SMILES: O=C(O)CNc1ccc(O)cc1
• Canonical SMILES: OC(=O)CNc1ccc(cc1)O
• InChI: InChI=1S/C8H9NO3/c10-7-3-1-6(2-4-7)9-5-8(11)12/h1-4,9-10H,5H2,(H,11,12)
• InChIKey: WRUZLCLJULHLEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-hydroxyphenyl)amino]acetic acid
• IUPAC Traditional name: glycin
• Synonyms: N-(4-hydroxyphenyl)glycine; p-hydroxyanilinoacetic acid; photoglycine; Glycin; N-(4-Hydroxyphenyl)glycine; N-(4-羟苯基)甘氨酸

Database IDs

• CAS Number: 122-87-2
• EC Number: 204-580-8
• MDL Number: MFCD00002689
• Merck Index: 144837
• PubChem SID: 24895677; 162221908
• PubChem CID: 67149
• CHEBI ID: 55443
• Chemspider ID: 60494
• Wikipedia Title: Glycin

CALCULATED PROPERTIES

• Acid pKa: 2.3182824
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.2561064
• LogD (pH = 7.4): -2.6549487
• Log P: -1.1365595
• Molar Refractivity: 44.3173 cm^3
• Polarizability: 16.313044 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: brown powder
• Melting Point: 244 °C (dec.)(lit.); 244°C; ca 240°C dec.
• Boiling Point: 446.3°C
• Density: 1.411 g/mL

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 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

Product Information

• Purity: 98%
• Linear Formula: HOC6H4NHCH2COOH

DETAILS

Sigma Aldrich - H51507

Packaging
5, 25 g in glass bottle