(prop-2-yn-1-yl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 271440
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: C(#C)CNCc1cnccc1
• Canonical SMILES: C#CCNCc1cccnc1
• InChI: InChI=1S/C9H10N2/c1-2-5-10-7-9-4-3-6-11-8-9/h1,3-4,6,8,10H,5,7H2
• InChIKey: AFKRXFQDBKTGKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-yn-1-yl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: prop-2-yn-1-yl(pyridin-3-ylmethyl)amine
• Synonyms: prop-2-yn-1-yl(pyridin-3-ylmethyl)amine

Database IDs

• MDL Number: MFCD07411961
• PubChem SID: 164327350
• PubChem CID: 4724207

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9676172
• LogD (pH = 7.4): -0.23225303
• Log P: 0.54200524
• Molar Refractivity: 44.7293 cm^3
• Polarizability: 17.237074 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.613

Product Information

• Purity: 95%