4-(pyridin-3-yloxy)aniline

• ChemBase ID: 17154
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: c1(Oc2cccnc2)ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)Oc1cccnc1
• InChI: InChI=1S/C11H10N2O/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H,12H2
• InChIKey: ZSLIXJKSPVCNHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-3-yloxy)aniline
• IUPAC Traditional name: 4-(pyridin-3-yloxy)aniline
• Synonyms: 4-(Pyridin-3-yloxy)aniline; 4-(Pyridin-3-yloxy)aniline; 4-(Pyridin-3-yloxy)-phenylamine; 4-(3-pyridinyloxy)phenylamine

Database IDs

• CAS Number: 80650-45-9
• MDL Number: MFCD07186369
• PubChem SID: 160980461
• PubChem CID: 3159631

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3606343
• LogD (pH = 7.4): 1.4260414
• Log P: 1.4269346
• Molar Refractivity: 54.8423 cm^3
• Polarizability: 20.900103 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%
• Empirical Formula (Hill Notation): C11H10N2O

DETAILS

Sigma Aldrich - CBR00249

Other Notes
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Legal Information
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