methyl(pyridin-3-ylmethyl)amine

• ChemBase ID: 71810
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1ncccc1CNC
• Canonical SMILES: CNCc1cccnc1
• InChI: InChI=1S/C7H10N2/c1-8-5-7-3-2-4-9-6-7/h2-4,6,8H,5H2,1H3
• InChIKey: MCSAQVGDZLPTBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(pyridin-3-ylmethyl)amine; methyl[(pyridin-3-yl)methyl]amine
• IUPAC Traditional name: N-methyl-3-pyridylmethylamine
• Synonyms: N-Methyl-1-pyridin-3-ylmethanamine; N-Methyl-N-(pyridin-3-ylmethyl)amine; 3-Picolylmethylamine; 3-[(Methylamino)methyl]pyridine; alpha-Methylamino-3-picoline; N-Methyl-3-pyridylmethylamine; N-Methyl-3-pyridinemethylamine; N-methyl-N-(3-pyridylmethyl)amine; N-Methyl-3-pyridinemethanamine; 3-[(Methylamino)methyl]pyridine; N-methyl-1-(pyridin-3-yl)methanamine; N-methyl-N-(pyridin-3-ylmethyl)amine; N-甲基-3-吡啶甲基胺; N-甲基-3-吡啶甲胺; N-甲基-N-(3-甲基吡啶)胺

Database IDs

• CAS Number: 20173-04-0
• EC Number: 243-561-9
• MDL Number: MFCD00023610
• PubChem SID: 162037181
• PubChem CID: 88393

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8059926
• LogD (pH = 7.4): -1.5001582
• Log P: 0.31392223
• Molar Refractivity: 37.1491 cm^3
• Polarizability: 14.650284 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60-62°C/1mm; 93-95°C/9mm
• Flash Point: 199.4 °F; 93 °C
• Density: 1.000 g/mL at 25 °C
• Refractive Index: n20/D 1.528
• Partition Coefficient: 0.454
• Hydrophobicity(logP): 0.013

Safety Information

• Storage Warning: Air Sensitive; Corrosive; IRRITANT
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

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

DETAILS

Sigma Aldrich - 709328

Packaging
1, 10 g in glass bottle