(3-methylpyridin-2-yl)methanamine

• ChemBase ID: 50375
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: n1c(c(C)ccc1)CN
• Canonical SMILES: NCc1ncccc1C
• InChI: InChI=1S/C7H10N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,5,8H2,1H3
• InChIKey: QNLAYSBIWHHNIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylpyridin-2-yl)methanamine
• IUPAC Traditional name: (3-methylpyridin-2-yl)methanamine
• Synonyms: (3-Methyl-2-pyridinyl)methanamine; (3-methylpyridin-2-yl)methanamine; 2-AMINOMETHYL-3-METHYLPYRIDINE; (3-Methylpyridin-2-yl)methylamine; 2-(Aminomethyl)-3-picoline; 2-(Aminomethyl)-3-methylpyridine

Database IDs

• CAS Number: 153936-26-6
• MDL Number: MFCD04116209
• PubChem SID: 162055138
• PubChem CID: 1514370

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.258144
• LogD (pH = 7.4): -0.6843928
• Log P: 0.4762351
• Molar Refractivity: 36.8935 cm^3
• Polarizability: 14.571929 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.046

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%