N-methylideneaniline

• ChemBase ID: 110919
• Molecular Formular: C7H7N
• Molecular Mass: 105.13718
• Monoisotopic Mass: 105.05784923
• SMILES: C=Nc1ccccc1
• Canonical SMILES: C=Nc1ccccc1
• InChI: InChI=1S/C7H7N/c1-8-7-5-3-2-4-6-7/h2-6H,1H2
• InChIKey: VULHYRAYXYTONQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylideneaniline
• IUPAC Traditional name: N-methylideneaniline
• Synonyms: METHYLENEANILINE,TRIMER

Database IDs

• CAS Number: 100-62-9
• PubChem SID: 162096502
• PubChem CID: 66014

CALCULATED PROPERTIES

• Molar Refractivity: 35.0526 cm^3
• Polarizability: 12.910378 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5396395
• LogD (pH = 7.4): 1.6924287
• Log P: 1.6947832

DETAILS

MP Biomedicals - 05216968

MP Biomedicals Rare Chemical collection