pyridin-3-amine

• ChemBase ID: 13663
• Molecular Formular: C5H6N2
• Molecular Mass: 94.11454
• Monoisotopic Mass: 94.0530982
• SMILES: c1cncc(c1)N
• Canonical SMILES: Nc1cccnc1
• InChI: InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2
• InChIKey: CUYKNJBYIJFRCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-3-amine
• IUPAC Traditional name: 3-aminopyridine
• Synonyms: 3-Aminopyridine; pyridin-3-amine; Amino-3-pyridine; m-Aminopyridine; 3-Pyridinamine; 3-Pyridylamine; Pyridin-3-amine; 3-Aminopyridine 99%; 3-Aminopyridine; 3-吡啶胺; 3-氨基吡啶

Database IDs

• CAS Number: 462-08-8
• EC Number: 207-322-2
• MDL Number: MFCD00006400
• Beilstein Number: 105692
• Merck Index: 14473
• PubChem SID: 24891284; 160976970; 24846322
• PubChem CID: 10009
• Chemspider ID: 9615
• Wikipedia Title: 3-Aminopyridine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.44281685
• LogD (pH = 7.4): -0.081923924
• Log P: -0.07335257
• Molar Refractivity: 28.6015 cm^3
• Polarizability: 10.568512 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in water, alcohol and benzene
• Apperance: Dull brown crystal at room temperature
• Melting Point: 57-60°C; 58-63°C; 59-63°C; 60-63 °C; 60-63 °C(lit.); 65°C
• Boiling Point: 104-106°C/20mm; 248 °C(lit.); 248°C; 248°C; 250-252°C; 250-252°C
• Flash Point: 124°C; 190.4 °F; 88 °C; 88°C; 88°C(190°F)
• Auto Ignition Point: 628°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Air Sensitive & Hygroscopic; AIR SENSITIVE, HYGROSCOPIC, TOXIC; Toxic/Irritant/Store under Argon
• RTECS: US1650000
• European Hazard Symbols: Toxic (T)
• UN Number: 2671; UN2671
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 21-25-36/37/38; 23/24/25-33-36/37/38; R:25
• Safety Statements: 26-36/37/39-45; 26-36/37-45; S:28-36/37/39-45-53
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: true; 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H331-H335-H373; H301-H312-H315-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311; P280H-P270-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2671 6.1/PG 2

Product Information

• Purity: ~99%; ≥98.0% (NT); 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H6N2

DETAILS

MP Biomedicals - 05213133

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150365

Purity: ~99%
Yellow to tan crystals

Sigma Aldrich - A78209

Packaging
25, 100, 500 g in poly bottle