pyridin-2-ylmethanamine

• ChemBase ID: 89454
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: n1c(cccc1)CN
• Canonical SMILES: NCc1ccccn1
• InChI: InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
• InChIKey: WOXFMYVTSLAQMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-2-ylmethanamine; (pyridin-2-yl)methanamine
• IUPAC Traditional name: 2-pyridinemethaneamine
• Synonyms: 2-Picolylamine; 2-(Aminomethyl)pyridine 98%; 2-(Aminomethyl)pyridine; 2-Picolylamine; 2-Aminomethylpyridine; 2-PICOLYLAMINE; pyridin-2-ylmethanamine; 2-Pyridinemethylamine; 2-(Aminomethyl)pyridine; 2-(AMINOMETHYL)PYRIDINE; 2-氨甲基吡啶; 2-吡啶甲基胺; 2-(氨甲基)吡啶

Database IDs

• CAS Number: 3731-51-9
• EC Number: 223-090-5
• MDL Number: MFCD00006360
• Beilstein Number: 108054
• PubChem SID: 24891101; 24887357; 162076334
• PubChem CID: 19509

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7652225
• LogD (pH = 7.4): -1.1871763
• Log P: -0.037186284
• Molar Refractivity: 31.8523 cm^3
• Polarizability: 12.804925 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -20°C; -20°C
• Boiling Point: 202-204°C; 202-204°C; 82-85 °C/12 mmHg(lit.)
• Flash Point: 210.2 °F; 90°C; 90°C(194°F); 99 °C
• Density: 1.049; 1.049 g/mL at 25 °C(lit.)
• Refractive Index: 1.5450; n20/D 1.544(lit.); n20/D 1.546

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Harmful/Light Sensitive/Air Sensitive/Store under Argon
• RTECS: US1840000
• 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-H227
• 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: ≥98.0% (GC); 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

MP Biomedicals - 05214037

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A65204

Packaging
5, 25, 100 g in glass bottle