tris(pyridin-2-ylmethyl)amine

• ChemBase ID: 143161
• Molecular Formular: C18H18N4
• Molecular Mass: 290.36232
• Monoisotopic Mass: 290.1531466
• SMILES: c1ccnc(c1)CN(Cc1ccccn1)Cc1ccccn1
• Canonical SMILES: c1ccc(nc1)CN(Cc1ccccn1)Cc1ccccn1
• InChI: InChI=1S/C18H18N4/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18/h1-12H,13-15H2
• InChIKey: VGUWFGWZSVLROP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: tris(2-pyridylmethyl)amine
• Synonyms: TPA; TPMA; Tripicolylamine; Tri-(2-picolyl)amine; Tris(2-pyridylmethyl)amine; 三-(2-吡啶甲基)胺; 三(2-吡啶基甲基)胺

Database IDs

• CAS Number: 16858-01-8
• MDL Number: MFCD14708176
• PubChem SID: 162237382
• PubChem CID: 379259

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8725289
• LogD (pH = 7.4): 1.9538728
• Log P: 1.9549872
• Molar Refractivity: 85.7886 cm^3
• Polarizability: 33.89521 Å^3
• Polar Surface Area: 41.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 85-89 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C18H18N4

DETAILS

Sigma Aldrich - 723134

Application
Atom Transfer Radical Polymerization (ATRP) ligand for the creation of telechelic polymers.1,2,3,4
Packaging
1 g in glass bottle
250 mg in glass bottle
Protocols & Applications
ATRP for Everyone: Ligands and Initiators for the Clean Synthesis of Functional Polymers
ATRP: Complete Tools for the Synthesis of Well-Defined Functionalized Polymers