benzyl[(6-methylpyridin-2-yl)methyl]amine

• ChemBase ID: 18515
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: n1c(CNCc2ccccc2)cccc1C
• Canonical SMILES: Cc1cccc(n1)CNCc1ccccc1
• InChI: InChI=1S/C14H16N2/c1-12-6-5-9-14(16-12)11-15-10-13-7-3-2-4-8-13/h2-9,15H,10-11H2,1H3
• InChIKey: MDMYZHXWIQUEFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(6-methylpyridin-2-yl)methyl]amine
• IUPAC Traditional name: benzyl[(6-methylpyridin-2-yl)methyl]amine
• Synonyms: Benzyl-(6-methyl-pyridin-2-ylmethyl)-amine; benzyl[(6-methylpyridin-2-yl)methyl]amine; N-benzyl-1-(6-methylpyridin-2-yl)methanamine

Database IDs

• CAS Number: 101938-10-7
• MDL Number: MFCD08144088
• PubChem SID: 160981822
• PubChem CID: 6484155

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.13088211
• LogD (pH = 7.4): 1.5984554
• Log P: 2.2512374
• Molar Refractivity: 65.831 cm^3
• Polarizability: 26.053556 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.67

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%