N-benzyl-6-methylpyridin-2-amine

• ChemBase ID: 35664
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: n1c(NCc2ccccc2)cccc1C
• Canonical SMILES: Cc1cccc(n1)NCc1ccccc1
• InChI: InChI=1S/C13H14N2/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,14,15)
• InChIKey: FJZQUYGOKRVORO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-6-methylpyridin-2-amine
• IUPAC Traditional name: N-benzyl-6-methylpyridin-2-amine
• Synonyms: 2-Benzylamino-6-methylpyridine; N-Benzyl-6-methylpyridin-2-amine; 2-苄胺基-6-甲基吡啶

Database IDs

• CAS Number: 70644-47-2
• EC Number: 274-716-9
• MDL Number: MFCD00075304
• PubChem SID: 160998971
• PubChem CID: 112445

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0672088
• LogD (pH = 7.4): 2.4006348
• Log P: 2.6786523
• Molar Refractivity: 63.6125 cm^3
• Polarizability: 23.804792 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64-66 °C(lit.)

Safety Information

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

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C13H14N2