N-methylpyridin-2-amine

• ChemBase ID: 86898
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: n1ccccc1NC
• Canonical SMILES: CNc1ccccn1
• InChI: InChI=1S/C6H8N2/c1-7-6-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)
• InChIKey: SVEUVITYHIHZQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpyridin-2-amine
• IUPAC Traditional name: 2-methylaminopyridine
• Synonyms: N-Methylpyridin-2-amine; 2-(Methylamino)pyridine; 2-(Methylamino)pyridine; N-Methylpyridin-2-amine; 2-(甲氨基)吡啶

Database IDs

• CAS Number: 4597-87-9
• EC Number: 224-997-9
• MDL Number: MFCD00006250
• Beilstein Number: 108188
• PubChem SID: 162074014; 24852617
• PubChem CID: 20727

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2097732
• LogD (pH = 7.4): 0.7502917
• Log P: 0.82280904
• Molar Refractivity: 34.4084 cm^3
• Polarizability: 12.411682 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 14-15°C; 15 °C(lit.)
• Boiling Point: 200-201 °C(lit.); 200-201°C
• Flash Point: 190.4 °F; 87°C(188°F); 88 °C
• Density: 1.052 g/mL at 25 °C(lit.); 1.060
• Refractive Index: 1.5780; n20/D 1.578(lit.)

Safety Information

• RTECS: UT5500000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37; 26-36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H331-H302-H312-H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

Sigma Aldrich - 210137

Packaging
5, 25 g in glass bottle