(prop-2-en-1-yl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 312608
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: n1ccc(CNCC=C)cc1
• Canonical SMILES: C=CCNCc1ccncc1
• InChI: InChI=1S/C9H12N2/c1-2-5-11-8-9-3-6-10-7-4-9/h2-4,6-7,11H,1,5,8H2
• InChIKey: GGOUTYNXVCBZGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-en-1-yl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: prop-2-en-1-yl(pyridin-4-ylmethyl)amine
• Synonyms: N-(4-pyridinylmethyl)-2-propen-1-amine

Database IDs

• CAS Number: 532407-09-3
• MDL Number: MFCD07406234

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8938863
• LogD (pH = 7.4): -0.3053792
• Log P: 1.0451721
• Molar Refractivity: 46.3118 cm^3
• Polarizability: 18.109934 Å^3
• Polar Surface Area: 24.92 Å^2