(prop-2-en-1-yl)(prop-2-yn-1-yl)amine

• ChemBase ID: 307251
• Molecular Formular: C6H9N
• Molecular Mass: 95.14236
• Monoisotopic Mass: 95.07349929
• SMILES: C(#C)CNCC=C
• Canonical SMILES: C=CCNCC#C
• InChI: InChI=1S/C6H9N/c1-3-5-7-6-4-2/h1,4,7H,2,5-6H2
• InChIKey: RGVPSBWHTNATMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-en-1-yl)(prop-2-yn-1-yl)amine
• IUPAC Traditional name: prop-2-en-1-yl(prop-2-yn-1-yl)amine
• Synonyms: N-prop-2-yn-1-ylprop-2-en-1-amine

Database IDs

• CAS Number: 42268-68-8
• MDL Number: MFCD00190225

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0991542
• LogD (pH = 7.4): -0.45790142
• Log P: 0.7664544
• Molar Refractivity: 31.4363 cm^3
• Polarizability: 12.001929 Å^3
• Polar Surface Area: 12.03 Å^2