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

• ChemBase ID: 16176
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: C(=C)COc1ccc(N)cc1
• Canonical SMILES: C=CCOc1ccc(cc1)N
• InChI: InChI=1S/C9H11NO/c1-2-7-11-9-5-3-8(10)4-6-9/h2-6H,1,7,10H2
• InChIKey: HVOANTMNYBSIGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(prop-2-en-1-yloxy)aniline
• IUPAC Traditional name: 4-(prop-2-en-1-yloxy)aniline
• Synonyms: 4-(Allyloxy)aniline

Database IDs

• CAS Number: 1688-69-3
• MDL Number: MFCD01902260
• PubChem SID: 160979483
• PubChem CID: 6504204

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5709217
• LogD (pH = 7.4): 1.715697
• Log P: 1.7178984
• Molar Refractivity: 46.3843 cm^3
• Polarizability: 17.436565 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