(2-ethylhexyl)(pyridin-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 297458
• Molecular Formular: C14H26Cl2N2
• Molecular Mass: 293.27564
• Monoisotopic Mass: 292.1473042
• SMILES: CCCCC(CC)CNCc1ccccn1.Cl.Cl
• Canonical SMILES: CCCCC(CNCc1ccccn1)CC.Cl.Cl
• InChI: InChI=1S/C14H24N2.2ClH/c1-3-5-8-13(4-2)11-15-12-14-9-6-7-10-16-14;;/h6-7,9-10,13,15H,3-5,8,11-12H2,1-2H3;2*1H
• InChIKey: HTEFKSZVEIVQFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethylhexyl)(pyridin-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: (2-ethylhexyl)(pyridin-2-ylmethyl)amine dihydrochloride
• Synonyms: 2-(2-Ethylhexylaminomethyl)pyridine dihydrochloride; 2-(2-乙基己基氨甲基)吡啶 二盐酸盐

Database IDs

• CAS Number: 142937-33-5
• MDL Number: MFCD00210006
• PubChem SID: 180682989
• PubChem CID: 16211068

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.40017334
• LogD (pH = 7.4): 1.9009277
• Log P: 3.4179718
• Molar Refractivity: 68.7751 cm^3
• Polarizability: 27.577797 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%