methyl[1-(pyridin-2-yl)ethyl]amine

• ChemBase ID: 24600
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: n1c(C(NC)C)cccc1
• Canonical SMILES: CNC(c1ccccn1)C
• InChI: InChI=1S/C8H12N2/c1-7(9-2)8-5-3-4-6-10-8/h3-7,9H,1-2H3
• InChIKey: MJXPDBFDHSMVNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyridin-2-yl)ethyl]amine
• IUPAC Traditional name: methyl[1-(pyridin-2-yl)ethyl]amine
• Synonyms: methyl[1-(pyridin-2-yl)ethyl]amine; N-Methyl-N-(1-pyridin-2-ylethyl)amine; N-methyl-1-pyridin-2-ylethanamine

Database IDs

• CAS Number: 114366-07-3
• MDL Number: MFCD08669766
• PubChem SID: 160987907
• PubChem CID: 16773381

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8604116
• LogD (pH = 7.4): -0.19679698
• Log P: 0.96415836
• Molar Refractivity: 41.1208 cm^3
• Polarizability: 16.497211 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.322

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%