methyl(pyridin-2-ylmethyl)amine

• ChemBase ID: 55330
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1cnc(cc1)CNC
• Canonical SMILES: CNCc1ccccn1
• InChI: InChI=1S/C7H10N2/c1-8-6-7-4-2-3-5-9-7/h2-5,8H,6H2,1H3
• InChIKey: OOTKJPZEEVPWCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(pyridin-2-ylmethyl)amine; methyl[(pyridin-2-yl)methyl]amine
• IUPAC Traditional name: methyl(pyridin-2-ylmethyl)amine
• Synonyms: methyl(pyridin-2-ylmethyl)amine; N-Methyl-1-pyridin-2-ylmethanamine; N-Methylpyridine-2-methanamine; 2-[(Methylamino)methyl]pyridine; N-METHYL-N-(2-PYRIDYLMETHYL)AMINE; N-甲基-2-吡啶甲胺; N-甲基-1-吡啶-2-甲胺

Database IDs

• CAS Number: 21035-59-6
• EC Number: 244-160-1
• MDL Number: MFCD02089407
• PubChem SID: 162060093
• PubChem CID: 88757

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.37277
• LogD (pH = 7.4): -0.6848164
• Log P: 0.39539412
• Molar Refractivity: 36.6269 cm^3
• Polarizability: 14.65115 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 179.6 °F; 82 °C
• Density: 0.994 g/mL at 25 °C
• Refractive Index: n20/D 1.524
• Hydrophobicity(logP): 0.013

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C7H10N2

DETAILS

Sigma Aldrich - 709336

Packaging
1, 5 g in glass bottle