4-methylpyrimidin-2-ol hydrochloride

• ChemBase ID: 54259
• Molecular Formular: C5H7ClN2O
• Molecular Mass: 146.57488
• Monoisotopic Mass: 146.02469053
• SMILES: n1c(nc(cc1)C)O.Cl
• Canonical SMILES: Cc1ccnc(n1)O.Cl
• InChI: InChI=1S/C5H6N2O.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H
• InChIKey: FDRYQDWXFZBBAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpyrimidin-2-ol hydrochloride
• IUPAC Traditional name: 4-methylpyrimidin-2-ol hydrochloride
• Synonyms: 4-Methylpyrimidin-2-ol hydrochloride; 4-Methyl-2-pyrimidinol hydrochloride; 2-Hydroxy-4-methylpyrimidine hydrochloride; 4-Methylpyrimidinol hydrochloride; 4-Methyl-2-pyrimidinol Monohydrochloride; 4-Methyl-2(1H)-pyrimidinone Hydrochloride; 2-Hydroxy-4-methylpyrimidine, Hydrochloride; 4-Methylpyrimidin-2-ol hydrochloride; 4-Methylpyrimidin-2(1H)-one hydrochloride; 2-Hydroxy-4-methylpyrimidine hydrochloride; 4-甲基-2-嘧啶醇 盐酸盐; 2-羟基-4-甲基嘧啶 盐酸盐

Database IDs

• CAS Number: 5348-51-6
• EC Number: 226-306-6
• MDL Number: MFCD00151347; MFCD00012782
• Beilstein Number: 3691454
• PubChem SID: 162059022; 24895636
• PubChem CID: 2723648

CALCULATED PROPERTIES

• Acid pKa: 13.685642
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.556325
• LogD (pH = 7.4): 0.5563261
• Log P: 0.5563263
• Molar Refractivity: 29.2407 cm^3
• Polarizability: 10.935776 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: Green-Yellow Solid
• Melting Point: 240-241°C dec.; 243 °C (dec.)(lit.); 243°C; ca 240°C dec.

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 97%
• Empirical Formula (Hill Notation): C5H6N2O · HCl

DETAILS

MP Biomedicals - 05210661

MP Biomedicals Rare Chemical collection

Sigma Aldrich - H43202

Packaging
25, 100 g in poly bottle