1-(4-methylpyridin-2-yl)piperazine

• ChemBase ID: 74344
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: n1ccc(cc1N1CCNCC1)C
• Canonical SMILES: Cc1ccnc(c1)N1CCNCC1
• InChI: InChI=1S/C10H15N3/c1-9-2-3-12-10(8-9)13-6-4-11-5-7-13/h2-3,8,11H,4-7H2,1H3
• InChIKey: ZFBRKSGGMODDHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylpyridin-2-yl)piperazine
• IUPAC Traditional name: 1-(4-methylpyridin-2-yl)piperazine
• Synonyms: 1-(4-methylpyridin-2-yl)piperazine; 4-Methyl-2-(piperazin-1-yl)pyridine; 1-(4-Methylpyridin-2-yl)piperazine 97%; 1-(4-Methylpyridin-2-yl)piperazine; 1-(4-Methyl-2-pyridyl)piperazine; 1-(4-甲基-2-吡啶)哌嗪

Database IDs

• CAS Number: 34803-67-3
• MDL Number: MFCD03412118
• PubChem SID: 162039263
• PubChem CID: 2760058

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.785532
• LogD (pH = 7.4): 0.026456868
• Log P: 1.4355679
• Molar Refractivity: 54.4398 cm^3
• Polarizability: 20.49932 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 114-116°C
• Hydrophobicity(logP): 0.632

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3259
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%