3-ethyl-6-methylpyridin-2-amine

• ChemBase ID: 295528
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: CCc1ccc(nc1N)C
• Canonical SMILES: CCc1ccc(nc1N)C
• InChI: InChI=1S/C8H12N2/c1-3-7-5-4-6(2)10-8(7)9/h4-5H,3H2,1-2H3,(H2,9,10)
• InChIKey: OQNDNGDJFBXUID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-6-methylpyridin-2-amine
• IUPAC Traditional name: 3-ethyl-6-methylpyridin-2-amine
• Synonyms: 3-Ethyl-6-methyl-2-pyridinamine; 2-Amino-3-ethyl-6-methylpyridine; 2-AMINO-3-ETHYL-6-METHYLPYRIDINE; 2-氨基-3-乙基-6-甲基吡啶

Database IDs

• CAS Number: 41995-31-7
• EC Number: 255-614-3
• MDL Number: MFCD00130077
• PubChem SID: 180681059
• PubChem CID: 3016311

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22412637
• LogD (pH = 7.4): 0.9767363
• Log P: 1.6104652
• Molar Refractivity: 43.1487 cm^3
• Polarizability: 15.944203 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-48°C

Safety Information

• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H312-H315-H319
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%