buta-2,3-dien-1-amine

• ChemBase ID: 310204
• Molecular Formular: C4H7N
• Molecular Mass: 69.10508
• Monoisotopic Mass: 69.05784923
• SMILES: C(=CCN)=C
• Canonical SMILES: NCC=C=C
• InChI: InChI=1S/C4H7N/c1-2-3-4-5/h3H,1,4-5H2
• InChIKey: JCWPPNJQFKFPKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: buta-2,3-dien-1-amine
• IUPAC Traditional name: buta-2,3-dien-1-amine
• Synonyms: 2,3-butadien-1-amine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.618449
• LogD (pH = 7.4): -1.5106074
• Log P: 0.34271297
• Molar Refractivity: 23.3632 cm^3
• Polarizability: 8.86305 Å^3
• Polar Surface Area: 26.02 Å^2