6-methylpyridin-3-amine

• ChemBase ID: 22345
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: c1(cnc(cc1)C)N
• Canonical SMILES: Cc1ccc(cn1)N
• InChI: InChI=1S/C6H8N2/c1-5-2-3-6(7)4-8-5/h2-4H,7H2,1H3
• InChIKey: UENBBJXGCWILBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridin-3-amine
• IUPAC Traditional name: 6-methylpyridin-3-amine
• Synonyms: 5-Amino-2-methylpyridine; 5-Amino-2-methyl pyridine; 5-Amino-2-picoline; 6-Methyl-3-pyridinamine; 6-methylpyridin-3-amine; 5-Amino-2-methylpyridine; 6-Methylpyridin-3-amine; 5-氨基-2-甲基吡啶; 2-甲基-5-氨基吡啶

Database IDs

• CAS Number: 3430-14-6
• MDL Number: MFCD00833389
• PubChem SID: 160985652; 24884598
• PubChem CID: 243313

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7034906
• LogD (pH = 7.4): 0.027549325
• Log P: 0.058017604
• Molar Refractivity: 33.193 cm^3
• Polarizability: 12.334108 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 99°C; 95-99 °C; 95-99°C; 95-99°C
• Hydrophobicity(logP): 0.817

Safety Information

• Storage Warning: Harmful; IRRITANT
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 22-37/38-41; 24/25-36/37/38
• Safety Statements: 26-36/37-45; 26-36/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H319-H335; H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

Sigma Aldrich - 662704

Packaging
1 g in glass bottle
250 mg in glass bottle