methyl[1-(pyridin-3-yl)ethyl]amine

• ChemBase ID: 52773
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(C(NC)C)cccnc1
• Canonical SMILES: CNC(c1cccnc1)C
• InChI: InChI=1S/C8H12N2/c1-7(9-2)8-4-3-5-10-6-8/h3-7,9H,1-2H3
• InChIKey: RYLMQQMCVLCCOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyridin-3-yl)ethyl]amine
• IUPAC Traditional name: methyl[1-(pyridin-3-yl)ethyl]amine
• Synonyms: N-Methyl-1-(pyridin-3-yl)ethanamine; methyl[1-(pyridin-3-yl)ethyl]amine; N-methyl-1-pyridin-3-ylethanamine

Database IDs

• CAS Number: 120741-33-5
• MDL Number: MFCD08669769
• PubChem SID: 162057536
• PubChem CID: 16778481

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4088914
• LogD (pH = 7.4): -1.1639692
• Log P: 0.73049724
• Molar Refractivity: 41.5679 cm^3
• Polarizability: 16.496271 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%