(4-methylpyridin-3-yl)methanamine

• ChemBase ID: 50380
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1(c(ccnc1)C)CN
• Canonical SMILES: NCc1cnccc1C
• InChI: InChI=1S/C7H10N2/c1-6-2-3-9-5-7(6)4-8/h2-3,5H,4,8H2,1H3
• InChIKey: VLIQJGACTLGWCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methylpyridin-3-yl)methanamine
• IUPAC Traditional name: (4-methylpyridin-3-yl)methanamine
• Synonyms: (4-Methyl-3-pyridinyl)methanamine; (4-METHYLPYRIDIN-3-YL)METHYLAMINE

Database IDs

• CAS Number: 1443-42-1
• MDL Number: MFCD06213859
• PubChem SID: 162055143
• PubChem CID: 12216557

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5591083
• LogD (pH = 7.4): -1.3598671
• Log P: 0.3947632
• Molar Refractivity: 37.4157 cm^3
• Polarizability: 14.569417 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%