2-(prop-2-en-1-yloxy)aniline

• ChemBase ID: 30048
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: c1(c(OCC=C)cccc1)N
• Canonical SMILES: C=CCOc1ccccc1N
• InChI: InChI=1S/C9H11NO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7,10H2
• InChIKey: VPZRVYLJWAJQRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(prop-2-en-1-yloxy)aniline
• IUPAC Traditional name: 2-(prop-2-en-1-yloxy)aniline
• Synonyms: 2-Allyloxy-phenylamine; 2-(allyloxy)aniline

Database IDs

• CAS Number: 27096-64-6
• MDL Number: MFCD01902258
• PubChem SID: 160993355
• PubChem CID: 6486639

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6839375
• LogD (pH = 7.4): 1.7174537
• Log P: 1.7178984
• Molar Refractivity: 46.3843 cm^3
• Polarizability: 17.438759 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false