2-methylpyridin-4-amine

• ChemBase ID: 18923
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: c1(cc(ccn1)N)C
• Canonical SMILES: Nc1ccnc(c1)C
• InChI: InChI=1S/C6H8N2/c1-5-4-6(7)2-3-8-5/h2-4H,1H3,(H2,7,8)
• InChIKey: GNCLPNMQEGMNTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyridin-4-amine
• IUPAC Traditional name: 2-methylpyridin-4-amine
• Synonyms: 2-Methyl-4-pyridinamine; 2-Methylpyridin-4-amine; 4-Amino-2-picoline; 2-methylpyridin-4-amine; 4-Amino-2-picoline; 4-Amino-2-methylpyridine; 4-Amino-2-methylpyridine; 2-甲基-4-氨基吡啶

Database IDs

• CAS Number: 18437-58-6
• MDL Number: MFCD00186509
• PubChem SID: 160982230; 24884599
• PubChem CID: 728670

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3907319
• LogD (pH = 7.4): -1.23659
• Log P: 0.058017604
• Molar Refractivity: 33.193 cm^3
• Polarizability: 12.330146 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Dark Red Solid
• Melting Point: 91-94°C; 93-97 °C; 93-97°C
• Hydrophobicity(logP): 0.817

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Harmful/Irritant/Corrosive/Store under Argon; IRRITANT, TOXIC
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36/39
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

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

DETAILS

Sigma Aldrich - 662712

Packaging
1 g in glass bottle
250 mg in glass bottle