N-butylideneaniline

• ChemBase ID: 112528
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: CCC/C=N/c1ccccc1
• Canonical SMILES: CCC/C=N/c1ccccc1
• InChI: InChI=1S/C10H13N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-9H,2-3H2,1H3
• InChIKey: LPXPSTWBTULMJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butylideneaniline
• IUPAC Traditional name: N-butylideneaniline
• Synonyms: BUTYLIDENE ANILINE

Database IDs

• PubChem SID: 162106696
• PubChem CID: 94851

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.699439
• LogD (pH = 7.4): 2.9211626
• Log P: 2.924901
• Molar Refractivity: 49.6918 cm^3
• Polarizability: 18.451204 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224532

MP Biomedicals Rare Chemical collection