N-methylpyridin-4-amine

• ChemBase ID: 88751
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: n1ccc(cc1)NC
• Canonical SMILES: CNc1ccncc1
• InChI: InChI=1S/C6H8N2/c1-7-6-2-4-8-5-3-6/h2-5H,1H3,(H,7,8)
• InChIKey: LSCYTCMNCWMCQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpyridin-4-amine
• IUPAC Traditional name: N-methylpyridin-4-amine
• Synonyms: JandaJel™-4-methylaminopyridine; N-Methylpyridin-4-amine; 4-(Methylamino)pyridine; 4-(Methylamino)pyridine; 4-甲基氨基吡啶; JandaJel™-4-甲基氨基吡啶; 4-甲氨基吡啶

Database IDs

• CAS Number: 1121-58-0
• MDL Number: MFCD00152625
• Beilstein Number: 108213
• PubChem SID: 24882719; 24851695; 162075660
• PubChem CID: 123098

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.75531954
• LogD (pH = 7.4): -0.64655733
• Log P: 0.22835152
• Molar Refractivity: 34.0949 cm^3
• Polarizability: 12.407253 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124-125 °C(lit.); 124-126°C; 124-128°C
• Boiling Point: 100 °C/0.1 mmHg(lit.)

Safety Information

• Storage Warning: Toxic/Harmful
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%; 99%
• Particle Size: 50-100 mesh
• Extent of Labeling: 1.5 mmol/g N loading
• Crosslinking: 1 % cross-linked
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

Sigma Aldrich - 635170

Packaging
5 g in glass bottle
Legal Information
JandaJel is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 195510

Packaging
1 g in glass bottle