(prop-2-en-1-yl)(pyridin-2-ylmethyl)amine

• ChemBase ID: 312597
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: n1c(CNCC=C)cccc1
• Canonical SMILES: C=CCNCc1ccccn1
• InChI: InChI=1S/C9H12N2/c1-2-6-10-8-9-5-3-4-7-11-9/h2-5,7,10H,1,6,8H2
• InChIKey: QWYUXVMDZOWGNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-en-1-yl)(pyridin-2-ylmethyl)amine
• IUPAC Traditional name: prop-2-en-1-yl(pyridin-2-ylmethyl)amine
• Synonyms: N-(2-pyridinylmethyl)-2-propen-1-amine

Database IDs

• CAS Number: 62402-16-8
• MDL Number: MFCD07411573

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1757394
• LogD (pH = 7.4): 0.54276
• Log P: 1.1266439
• Molar Refractivity: 45.7896 cm^3
• Polarizability: 18.111073 Å^3
• Polar Surface Area: 24.92 Å^2