pyridin-4-amine

• ChemBase ID: 90092
• Molecular Formular: C5H6N2
• Molecular Mass: 94.11454
• Monoisotopic Mass: 94.0530982
• SMILES: n1ccc(cc1)N
• Canonical SMILES: Nc1ccncc1
• InChI: InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
• InChIKey: NUKYPUAOHBNCPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridin-4-amine
• IUPAC Traditional name: 4 aminopyridine
• Synonyms: pyridin-4-amine; 4-pyridinamine; 4-Pyridylamine; 4-Aminopyridine; 4-Pyridinylamine; Ampyra; Avitrol; EL 970; NSC 15041; Neurelan; Phillips 1861; Pyridine-4-ylamine; VMI 10-3; p-Aminopyridine; γ-Aminopyridine; Dalfampridine; Pyridin-4-amine; 4-Aminopyridine 98%; 4AP; 4-Aminopyridine; Amino-4-Pyridine; gamma-Aminopyridine; 4-Pyridinamine, 4-Pyridylamine; Fampridine; 4-AMINOPYRIDINE; 4-吡啶胺; 对氨基吡啶; 氨吡啶; 4-氨基吡啶

Database IDs

• CAS Number: 504-24-5
• EC Number: 207-987-9
• MDL Number: MFCD00006439
• Beilstein Number: 105782
• Merck Index: 143933
• PubChem SID: 24862717; 162076947; 24856677; 24891285
• PubChem CID: 1727
• CHEBI ID: 34385
• ATC CODE: N07XX07
• CHEMBL: 284348
• Chemspider ID: 1664
• IUPHAR ligand ID: 2416
• KEGG ID: D04127
• MeSH Name: 4-Aminopyridine
• Unique Ingredient Identifier: BH3B64OKL9
• Wikipedia Title: 4-Aminopyridine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0573177
• LogD (pH = 7.4): -0.96570987
• Log P: -0.07335257
• Molar Refractivity: 28.6015 cm^3
• Polarizability: 10.5638485 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: polar organic solvents
• Apperance: colourless solid
• Melting Point: 155-158 °C; 155-158 °C(lit.); 155-158°C; 157-161°C; 158°C; 158-160 °C
• Boiling Point: 273 °C(lit.); 273°C; 273-274°C
• Flash Point: 164°C(327°F)
• Density: 1.26

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Very Toxic/Store under Argon
• RTECS: US1750000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2671; UN2671
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Australian Hazchem: 2X
• Risk Statements: 24-28-36/37/38-51/53; 28-36/37/38; R:28
• Safety Statements: 26-28-36/37-45-61; 26-36/37/39-45; S:28-29-36/37/39-45
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H311-H315-H319-H335-H411-H401; H300-H315-H319-H335
• GHS Precautionary statements: P261-P264-P301 + P310-P305 + P351 + P338; P280H-P273-P270-P301+P310-P305+P351+P338-P302+P352
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2671 6.1/PG 2

Pharmacology Properties

• Admin Routes: Oral
• Bioavailability: 96%
• Legal Status: Rx-only (US)
• Pregnancy Category: C (US)
• Gene Information: mouse ... Kcna3(16491)rat ... Grin2a(24409)

Product Information

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

DETAILS

MP Biomedicals - 02150366

Purity: ~98%
Pink to red crystals

MP Biomedicals - 05213134

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 275875

Packaging
1, 5 g in glass bottle

Sigma Aldrich - A78403

Packaging
25, 100 g in poly bottle

Sigma Aldrich - 36687

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - D113500

Dalfampridine is used in characterizing subtypes of potassium channel, and has also been used to manage some of the symptoms of multiple sclerosis, and is indicated for symptomatic improvement of walking in adults with several variations of the disease. D

REFERENCES

• Judge S., et al.: Pharmacol. Ther., 111, 224 (2006)
• Wu, Z.Z., et al.: J. Biol. Chem., 284. 36453 (2006)