methyl({[2-(pyrrolidin-1-yl)pyridin-3-yl]methyl})amine

• ChemBase ID: 91226
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: N1(c2ncccc2CNC)CCCC1
• Canonical SMILES: CNCc1cccnc1N1CCCC1
• InChI: InChI=1S/C11H17N3/c1-12-9-10-5-4-6-13-11(10)14-7-2-3-8-14/h4-6,12H,2-3,7-9H2,1H3
• InChIKey: FZYYBTAASUJTRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(pyrrolidin-1-yl)pyridin-3-yl]methyl})amine
• IUPAC Traditional name: methyl({[2-(pyrrolidin-1-yl)pyridin-3-yl]methyl})amine
• Synonyms: N-Methyl-N-[(2-pyrrolidin-1-ylpyridin-3-yl)methyl]amine; 3-[(Methylamino)methyl]-2-(pyrrolidin-1-yl)pyridine 97%; N-methyl-N-[(2-pyrrolidin-1-ylpyridin-3-yl)methyl]amine

Database IDs

• CAS Number: 857284-17-4
• MDL Number: MFCD07772854
• PubChem SID: 162077930
• PubChem CID: 7164637

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.653585
• LogD (pH = 7.4): -0.13772191
• Log P: 1.4222211
• Molar Refractivity: 59.4322 cm^3
• Polarizability: 22.41954 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon

Product Information

• Purity: 97%