5-methylpyridin-2-amine

• ChemBase ID: 85732
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: n1c(ccc(c1)C)N
• Canonical SMILES: Nc1ccc(cn1)C
• InChI: InChI=1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)
• InChIKey: CMBSSVKZOPZBKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpyridin-2-amine
• IUPAC Traditional name: 2-amino-5-methylpyridine
• Synonyms: 2-Amino-5-methylpyridine; 6-Amino-3-picoline; 5-Methyl-2-pyridinamine; 5-Methyl-2-pyridylamine; NSC 1489; NSC 96444; 2-Amino-5-methylpyridine; 2-Amino-5-methylpyridine; 6-Amino-3-picoline; 5-Methylpyridin-2-amine; 2-Amino-5-methylpyridine 98%; 5-methylpyridin-2-amine; 2-氨基-5-甲基吡啶; 6-氨基-3-甲基吡啶; 2-氨基-5-甲基吡啶

Database IDs

• CAS Number: 1603-41-4
• EC Number: 216-503-5
• MDL Number: MFCD00006328
• Beilstein Number: 107050
• PubChem SID: 162072848; 24891252
• PubChem CID: 15348

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2612816
• LogD (pH = 7.4): 0.82512105
• Log P: 1.0345263
• Molar Refractivity: 33.9562 cm^3
• Polarizability: 12.3334055 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White Solid; white to light yellow crystal
• Melting Point: 74-76 °C; 74-78°C; 74-78°C; 75-77°C; 76-77 °C(lit.)
• Boiling Point: 226-228°C; 226-228°C; 227 °C(lit.)
• Flash Point: 118°C; 118°C(244°F)

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Hygroscopic; Toxic/Hygroscopic/Store under Argon
• RTECS: TJ5141000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; III
• Risk Statements: 23/24/25-36/37/38; 24/25-36/37/38
• Safety Statements: 26-36/37/39-45; 26-36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H331-H335; H301-H311-H315-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338-P311; P280H-P305+P351+P338-P307+P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Purity: ≥95.0% (GC); 97%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

Sigma Aldrich - A75684

Packaging
10, 50 g in glass bottle

REFERENCES

• Francotte, P., et al.: Bioorg. Med. Chem., 16, 9948 (2008)
• Sundaraganesan, N., et al.: J. Mol. Struc., 891, 284 (2008)
• Caleta, I., et al.: J. Med. Chem., 52, 1744 (2008)