4-(2-aminoethyl)phenol hydrochloride

• ChemBase ID: 102822
• Molecular Formular: C8H12ClNO
• Molecular Mass: 173.63998
• Monoisotopic Mass: 173.06074169
• SMILES: Cl.NCCc1ccc(O)cc1
• Canonical SMILES: NCCc1ccc(cc1)O.Cl
• InChI: InChI=1S/C8H11NO.ClH/c9-6-5-7-1-3-8(10)4-2-7;/h1-4,10H,5-6,9H2;1H
• InChIKey: RNISDHSYKZAWOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-aminoethyl)phenol hydrochloride
• IUPAC Traditional name: tyramine hydrochloride
• Synonyms: 4-(2-Aminoethyl)phenol hydrochloride; 4-Hydroxyphenethylamine hydrochloride; Tyrosamine hydrochloride; TYRAMINE HYDROCHLORIDE; Tyramine hydrochloride; 4-(2-aminoethyl)phenol hydrochloride; 2-(4-Hydroxyphenyl)ethylamine hydrochloride; 4-(2-氨乙基)苯酚 盐酸盐; 4-羟基苯乙胺 盐酸盐; 酪胺 盐酸盐; 酪胺盐酸盐

Database IDs

• CAS Number: 60-19-5
• EC Number: 200-462-5
• MDL Number: MFCD00012901
• Beilstein Number: 3627058
• Merck Index: 149835
• PubChem SID: 24277896; 162090303; 24889930
• PubChem CID: 66449

CALCULATED PROPERTIES

• Acid pKa: 10.410818
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9262791
• LogD (pH = 7.4): -1.2292765
• Log P: 0.6797132
• Molar Refractivity: 41.2673 cm^3
• Polarizability: 16.070105 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 271 - 273°C; 271-274 °C(lit.); 271-274°C; 271-274°C; 273-276 °C
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: SJ6050000
• 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

Pharmacology Properties

• Gene Information: human ... ADORA2A(135), ADORA2B(136), ADORA3(140)

Product Information

• Purity: ≥97.0% (AT); ≥98%; 95%; 95+%; 98%
• Linear Formula: HOC6H4CH2CH2NH2 · HCl

DETAILS

MP Biomedicals - 02103173

Hydrochloride

Sigma Aldrich - T2879

Biochem/physiol Actions
Can enter catecholaminergic terminals and be released as a false transmitter.1
包装
1, 5, 25, 100 g in glass bottle
10 mg in autosmp vl

Sigma Aldrich - 93820

Biochem/physiol Actions
Can enter catecholaminergic terminals and be released as a false transmitter.1