pyridin-4-ylmethanamine

• ChemBase ID: 80523
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: n1ccc(cc1)CN
• Canonical SMILES: NCc1ccncc1
• InChI: InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
• InChIKey: TXQWFIVRZNOPCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-4-ylmethanamine; (pyridin-4-yl)methanamine
• IUPAC Traditional name: 4-pyridinemethaneamine
• Synonyms: 4-pyridylmethylamine; (Pyridin-4-yl)methylamine; 4-(Aminomethyl)pyridine; 4-Pyridinemethylamine; 4-Picolylamine; 4-Picolylamine; 4-(Aminomethyl)pyridine; pyridin-4-ylmethanamine; 4-甲氨基吡啶; 4-甲氨基吡啶; 4-(氨基甲基)吡啶

Database IDs

• CAS Number: 3731-53-1; 1121-58-0
• EC Number: 223-092-6
• MDL Number: MFCD00006449
• Beilstein Number: 108057
• PubChem SID: 24887540; 162067643; 24891107
• PubChem CID: 77317

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.080511
• LogD (pH = 7.4): -1.965941
• Log P: -0.11865818
• Molar Refractivity: 32.3745 cm^3
• Polarizability: 12.803808 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -8 °C(lit.); -8°C; -8°C
• Boiling Point: 228-230°C; 230 °C(lit.); 230°C
• Flash Point: 104 °C; 104°C; 108°C(226°F); 219.2 °F
• Density: 1.065; 1.065 g/mL at 25 °C(lit.); 1.069
• Refractive Index: 1.5515; 1.5520; n20/D 1.552; n20/D 1.552(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Air Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: ≥97.0% (GC); 95%; 97%; 97+%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

Sigma Aldrich - A65603

Packaging
5, 25 g in glass bottle