2-methylpyridin-3-amine

• ChemBase ID: 13734
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: c1cnc(c(c1)N)C
• Canonical SMILES: Nc1cccnc1C
• InChI: InChI=1S/C6H8N2/c1-5-6(7)3-2-4-8-5/h2-4H,7H2,1H3
• InChIKey: ZSFPJJJRNUZCEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 3430/10/2; 3430-10-2
• MDL Number: MFCD03788195
• PubChem SID: 24884597; 160977041
• PubChem CID: 572616

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.81145
• LogD (pH = 7.4): 0.014665883
• Log P: 0.058017604
• Molar Refractivity: 33.193 cm^3
• Polarizability: 12.334814 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114-119 °C; 114-119°C; 114-119°C; 115-118°C
• Hydrophobicity(logP): 0.767

Safety Information

• Storage Warning: Harmful/Irritant; TOXIC
• 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, Gloves

Product Information

• Purity: 95%; 96%; 97%; 98%
• Empirical Formula (Hill Notation): C6H8N2

DETAILS

Sigma Aldrich - 662690

Packaging
1 g in glass bottle
250 mg in glass bottle